N-methyl-N-(2-methylprop-2-enyl)propane-2-sulfonamide

C8H17NO2S — CID 115886928

IUPACN-methyl-N-(2-methylprop-2-enyl)propane-2-sulfonamide
SMILESC=C(C)CN(C)S(=O)(=O)C(C)C
InChIInChI=1S/C8H17NO2S/c1-7(2)6-9(5)12(10,11)8(3)4/h8H,1,6H2,2-5H3
InChIKeyKRTDQRIVRKPKOS-UHFFFAOYSA-N
MW191.30 g/mol
LogP1.23
Rot. Bonds4

About N-methyl-N-(2-methylprop-2-enyl)propane-2-sulfonamide

N-methyl-N-(2-methylprop-2-enyl)propane-2-sulfonamide (PubChem CID 115886928) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is N-methyl-N-(2-methylprop-2-enyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylprop-2-enyl)propane-2-sulfonamide
PubChem CID115886928
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC NameN-methyl-N-(2-methylprop-2-enyl)propane-2-sulfonamide
SMILESC=C(C)CN(C)S(=O)(=O)C(C)C
InChIInChI=1S/C8H17NO2S/c1-7(2)6-9(5)12(10,11)8(3)4/h8H,1,6H2,2-5H3
InChIKeyKRTDQRIVRKPKOS-UHFFFAOYSA-N
XLogP1.23
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[methyl(propan-2-ylsulfonyl)amino]acetate
CID 60865310
N-methyl-N-(2-methylprop-2-enyl)hydroxylamine
CID 102036894
N-(2-methylprop-2-enyl)-N-propan-2-ylcarbamoyl bromide
CID 174390327
N-[(1-hydroxycyclopentyl)methyl]-N-methylpropane-2-sulfonamide
CID 115867671
4-acetyl-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 115776811
(2R)-2-amino-N-methyl-N-(2-methylprop-2-enyl)propanamide
CID 104868591
2-[methyl(2-methylprop-2-enyl)amino]propan-1-ol
CID 115772235
N-[(4-hydroxyphenyl)methyl]-N-methylpropane-2-sulfonamide
CID 61043511
N-methyl-N-(2-methylprop-2-enyl)acetamide
CID 115968492
3-propan-2-ylsulfonylprop-1-en-2-ol
CID 158782107
2-[methyl(2-methylprop-2-enylsulfonyl)amino]acetic acid
CID 122067747
N-methyl-N-(3,5,5-trimethyl-4-oxohexyl)propane-2-sulfonamide
CID 170264785

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylprop-2-enyl)propane-2-sulfonamide?
The IUPAC name of N-methyl-N-(2-methylprop-2-enyl)propane-2-sulfonamide (CID 115886928) is N-methyl-N-(2-methylprop-2-enyl)propane-2-sulfonamide.
What is the SMILES notation for N-methyl-N-(2-methylprop-2-enyl)propane-2-sulfonamide?
The canonical SMILES for N-methyl-N-(2-methylprop-2-enyl)propane-2-sulfonamide is C=C(C)CN(C)S(=O)(=O)C(C)C.
What is the InChIKey of N-methyl-N-(2-methylprop-2-enyl)propane-2-sulfonamide?
The InChIKey is KRTDQRIVRKPKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-7(2)6-9(5)12(10,11)8(3)4/h8H,1,6H2,2-5H3.
What are the key properties of N-methyl-N-(2-methylprop-2-enyl)propane-2-sulfonamide?
N-methyl-N-(2-methylprop-2-enyl)propane-2-sulfonamide has a molecular weight of 191.30 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylprop-2-enyl)propane-2-sulfonamide is sourced from PubChem (CID 115886928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).