N-tert-butyl-1-cyclopropylmethanesulfonamide;N-tert-butyl-2-methylpropane-1-sulfonamide

C16H36N2O4S2 — CID 163730626

IUPACN-tert-butyl-1-cyclopropylmethanesulfonamide;N-tert-butyl-2-methylpropane-1-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)CC1CC1.CC(C)CS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C8H17NO2S.C8H19NO2S/c1-8(2,3)9-12(10,11)6-7-4-5-7;1-7(2)6-12(10,11)9-8(3,4)5/h7,9H,4-6H2,1-3H3;7,9H,6H2,1-5H3
InChIKeyKZGBLMPAIAODDA-UHFFFAOYSA-N
MW384.61 g/mol
LogP2.47
Rot. Bonds6

About N-tert-butyl-1-cyclopropylmethanesulfonamide;N-tert-butyl-2-methylpropane-1-sulfonamide

N-tert-butyl-1-cyclopropylmethanesulfonamide;N-tert-butyl-2-methylpropane-1-sulfonamide (PubChem CID 163730626) has the molecular formula C16H36N2O4S2 and a molecular weight of 384.61 g/mol. Its IUPAC name is N-tert-butyl-1-cyclopropylmethanesulfonamide;N-tert-butyl-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-1-cyclopropylmethanesulfonamide;N-tert-butyl-2-methylpropane-1-sulfonamide
PubChem CID163730626
Molecular FormulaC16H36N2O4S2
Molecular Weight384.61 g/mol
Exact Mass384.21
IUPAC NameN-tert-butyl-1-cyclopropylmethanesulfonamide;N-tert-butyl-2-methylpropane-1-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)CC1CC1.CC(C)CS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C8H17NO2S.C8H19NO2S/c1-8(2,3)9-12(10,11)6-7-4-5-7;1-7(2)6-12(10,11)9-8(3,4)5/h7,9H,4-6H2,1-3H3;7,9H,6H2,1-5H3
InChIKeyKZGBLMPAIAODDA-UHFFFAOYSA-N
XLogP2.47
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.61
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)methanesulfonamide
CID 103931299
1-cyclopropyl-N-(1-hydroxypropan-2-yl)methanesulfonamide
CID 64987940
N-(1-chloro-2-methylbutan-2-yl)-1-cyclopropylmethanesulfonamide
CID 65032467
N-tert-butyl-3-chloro-2-methylpropane-1-sulfonamide
CID 79579871
N-[1-chloro-2-(chloromethyl)butan-2-yl]-1-cyclopropylmethanesulfonamide
CID 107868369
1-cyclohexyl-N-(1-hydroxy-2-methylpropan-2-yl)methanesulfonamide
CID 61453787
N-(4-aminobutan-2-yl)-1-cyclopropylmethanesulfonamide
CID 64990284
1-cyclohexyl-N-(2-methylpropyl)methanesulfonamide
CID 62735180
N-(cyclopropylmethyl)-1-ethylsulfonylpropan-2-amine
CID 115626115
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylpropane-1-sulfonamide
CID 65121362
N-(3-chloro-2-methylpropyl)-1-cyclopropylmethanesulfonamide
CID 65036846
1-cyclohexyl-N-[(2R)-1-hydroxypropan-2-yl]methanesulfonamide
CID 64722343

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-cyclopropylmethanesulfonamide;N-tert-butyl-2-methylpropane-1-sulfonamide?
The IUPAC name of N-tert-butyl-1-cyclopropylmethanesulfonamide;N-tert-butyl-2-methylpropane-1-sulfonamide (CID 163730626) is N-tert-butyl-1-cyclopropylmethanesulfonamide;N-tert-butyl-2-methylpropane-1-sulfonamide.
What is the SMILES notation for N-tert-butyl-1-cyclopropylmethanesulfonamide;N-tert-butyl-2-methylpropane-1-sulfonamide?
The canonical SMILES for N-tert-butyl-1-cyclopropylmethanesulfonamide;N-tert-butyl-2-methylpropane-1-sulfonamide is CC(C)(C)NS(=O)(=O)CC1CC1.CC(C)CS(=O)(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-1-cyclopropylmethanesulfonamide;N-tert-butyl-2-methylpropane-1-sulfonamide?
The InChIKey is KZGBLMPAIAODDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S.C8H19NO2S/c1-8(2,3)9-12(10,11)6-7-4-5-7;1-7(2)6-12(10,11)9-8(3,4)5/h7,9H,4-6H2,1-3H3;7,9H,6H2,1-5H3.
What are the key properties of N-tert-butyl-1-cyclopropylmethanesulfonamide;N-tert-butyl-2-methylpropane-1-sulfonamide?
N-tert-butyl-1-cyclopropylmethanesulfonamide;N-tert-butyl-2-methylpropane-1-sulfonamide has a molecular weight of 384.61 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-cyclopropylmethanesulfonamide;N-tert-butyl-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 163730626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).