N-tert-butylmethanesulfonamide;N-tert-butyl-N-methylmethanesulfonamide;N,2-dimethylpropan-2-amine;methanol;N-propan-2-ylidenemethanesulfonamide

C21H54N4O7S3 — CID 158891629

IUPACN-tert-butylmethanesulfonamide;N-tert-butyl-N-methylmethanesulfonamide;N,2-dimethylpropan-2-amine;methanol;N-propan-2-ylidenemethanesulfonamide
SMILESCC(C)(C)NS(C)(=O)=O.CC(C)=NS(C)(=O)=O.CN(C(C)(C)C)S(C)(=O)=O.CNC(C)(C)C.CO
InChIInChI=1S/C6H15NO2S.C5H13NO2S.C5H13N.C4H9NO2S.CH4O/c1-6(2,3)7(4)10(5,8)9;1-5(2,3)6-9(4,7)8;1-5(2,3)6-4;1-4(2)5-8(3,6)7;1-2/h1-5H3;6H,1-4H3;6H,1-4H3;1-3H3;2H,1H3
InChIKeyJEHQUNQJXXKRAY-UHFFFAOYSA-N
MW570.89 g/mol
LogP2.05
Rot. Bonds3

About N-tert-butylmethanesulfonamide;N-tert-butyl-N-methylmethanesulfonamide;N,2-dimethylpropan-2-amine;methanol;N-propan-2-ylidenemethanesulfonamide

N-tert-butylmethanesulfonamide;N-tert-butyl-N-methylmethanesulfonamide;N,2-dimethylpropan-2-amine;methanol;N-propan-2-ylidenemethanesulfonamide (PubChem CID 158891629) has the molecular formula C21H54N4O7S3 and a molecular weight of 570.89 g/mol. Its IUPAC name is N-tert-butylmethanesulfonamide;N-tert-butyl-N-methylmethanesulfonamide;N,2-dimethylpropan-2-amine;methanol;N-propan-2-ylidenemethanesulfonamide.

Molecular Properties

Compound NameN-tert-butylmethanesulfonamide;N-tert-butyl-N-methylmethanesulfonamide;N,2-dimethylpropan-2-amine;methanol;N-propan-2-ylidenemethanesulfonamide
PubChem CID158891629
Molecular FormulaC21H54N4O7S3
Molecular Weight570.89 g/mol
Exact Mass570.32
IUPAC NameN-tert-butylmethanesulfonamide;N-tert-butyl-N-methylmethanesulfonamide;N,2-dimethylpropan-2-amine;methanol;N-propan-2-ylidenemethanesulfonamide
SMILESCC(C)(C)NS(C)(=O)=O.CC(C)=NS(C)(=O)=O.CN(C(C)(C)C)S(C)(=O)=O.CNC(C)(C)C.CO
InChIInChI=1S/C6H15NO2S.C5H13NO2S.C5H13N.C4H9NO2S.CH4O/c1-6(2,3)7(4)10(5,8)9;1-5(2,3)6-9(4,7)8;1-5(2,3)6-4;1-4(2)5-8(3,6)7;1-2/h1-5H3;6H,1-4H3;6H,1-4H3;1-3H3;2H,1H3
InChIKeyJEHQUNQJXXKRAY-UHFFFAOYSA-N
XLogP2.05
TPSA162.31 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.89
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[[tert-butyl(methyl)sulfamoyl]amino]-2-methylpropane
CID 134401979
N-tert-butylmethanesulfonamide;2,2-dimethylpropane
CID 161299007
molecular iodine;N-propan-2-ylidenemethanesulfonamide
CID 160580662
5-[tert-butylsulfamoyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 114806621
N-methyl-N-(trifluoromethyl)methanesulfonamide
CID 172820262
azanium N-tert-butylsulfamate
CID 87696521
N-tert-butyl-2-[tert-butyl(methylsulfonyl)amino]acetamide
CID 89118215
2-[tert-butyl(methyl)sulfamoyl]propanoic acid
CID 54048764
N-[4-(dimethylamino)-2,4-dimethylpentan-2-yl]methanesulfonamide
CID 89331793
N-tert-butyl-1-[methyl(methylsulfonyl)amino]propane-2-sulfonamide
CID 118241937
(1Z)-3,5-diacetamido-2,4,6-triiodo-N-methylsulfonylbenzenecarboximidate
CID 153287262
N'-(tert-butylsulfamoyl)-N-methylmethanediamine
CID 117126162

Frequently Asked Questions

What is the IUPAC name of N-tert-butylmethanesulfonamide;N-tert-butyl-N-methylmethanesulfonamide;N,2-dimethylpropan-2-amine;methanol;N-propan-2-ylidenemethanesulfonamide?
The IUPAC name of N-tert-butylmethanesulfonamide;N-tert-butyl-N-methylmethanesulfonamide;N,2-dimethylpropan-2-amine;methanol;N-propan-2-ylidenemethanesulfonamide (CID 158891629) is N-tert-butylmethanesulfonamide;N-tert-butyl-N-methylmethanesulfonamide;N,2-dimethylpropan-2-amine;methanol;N-propan-2-ylidenemethanesulfonamide.
What is the SMILES notation for N-tert-butylmethanesulfonamide;N-tert-butyl-N-methylmethanesulfonamide;N,2-dimethylpropan-2-amine;methanol;N-propan-2-ylidenemethanesulfonamide?
The canonical SMILES for N-tert-butylmethanesulfonamide;N-tert-butyl-N-methylmethanesulfonamide;N,2-dimethylpropan-2-amine;methanol;N-propan-2-ylidenemethanesulfonamide is CC(C)(C)NS(C)(=O)=O.CC(C)=NS(C)(=O)=O.CN(C(C)(C)C)S(C)(=O)=O.CNC(C)(C)C.CO.
What is the InChIKey of N-tert-butylmethanesulfonamide;N-tert-butyl-N-methylmethanesulfonamide;N,2-dimethylpropan-2-amine;methanol;N-propan-2-ylidenemethanesulfonamide?
The InChIKey is JEHQUNQJXXKRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2S.C5H13NO2S.C5H13N.C4H9NO2S.CH4O/c1-6(2,3)7(4)10(5,8)9;1-5(2,3)6-9(4,7)8;1-5(2,3)6-4;1-4(2)5-8(3,6)7;1-2/h1-5H3;6H,1-4H3;6H,1-4H3;1-3H3;2H,1H3.
What are the key properties of N-tert-butylmethanesulfonamide;N-tert-butyl-N-methylmethanesulfonamide;N,2-dimethylpropan-2-amine;methanol;N-propan-2-ylidenemethanesulfonamide?
N-tert-butylmethanesulfonamide;N-tert-butyl-N-methylmethanesulfonamide;N,2-dimethylpropan-2-amine;methanol;N-propan-2-ylidenemethanesulfonamide has a molecular weight of 570.89 g/mol, XLogP of 2.05, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylmethanesulfonamide;N-tert-butyl-N-methylmethanesulfonamide;N,2-dimethylpropan-2-amine;methanol;N-propan-2-ylidenemethanesulfonamide is sourced from PubChem (CID 158891629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).