3,3-dimethyl-N-pyrrolidin-3-ylbutane-1-sulfonamide

C10H22N2O2S — CID 103828888

IUPAC3,3-dimethyl-N-pyrrolidin-3-ylbutane-1-sulfonamide
SMILESCC(C)(C)CCS(=O)(=O)NC1CCNC1
InChIInChI=1S/C10H22N2O2S/c1-10(2,3)5-7-15(13,14)12-9-4-6-11-8-9/h9,11-12H,4-8H2,1-3H3
InChIKeyWIGLOZILAJYKMH-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.70
Rot. Bonds4

About 3,3-dimethyl-N-pyrrolidin-3-ylbutane-1-sulfonamide

3,3-dimethyl-N-pyrrolidin-3-ylbutane-1-sulfonamide (PubChem CID 103828888) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is 3,3-dimethyl-N-pyrrolidin-3-ylbutane-1-sulfonamide.

Molecular Properties

Compound Name3,3-dimethyl-N-pyrrolidin-3-ylbutane-1-sulfonamide
PubChem CID103828888
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC Name3,3-dimethyl-N-pyrrolidin-3-ylbutane-1-sulfonamide
SMILESCC(C)(C)CCS(=O)(=O)NC1CCNC1
InChIInChI=1S/C10H22N2O2S/c1-10(2,3)5-7-15(13,14)12-9-4-6-11-8-9/h9,11-12H,4-8H2,1-3H3
InChIKeyWIGLOZILAJYKMH-UHFFFAOYSA-N
XLogP0.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3,3-dimethyl-N-pyrrolidin-3-ylbutane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-pyrrolidin-3-ylpropane-1-sulfonamide;hydrochloride
CID 50988223
N-[(3R)-pyrrolidin-3-yl]ethanesulfonamide
CID 79684935
methyl 3-[[(3S)-pyrrolidin-3-yl]sulfamoyl]propanoate
CID 79684956
3,3-dimethyl-N-(2-pyrrolidin-3-ylethyl)butane-1-sulfonamide
CID 103828982
2-piperidin-2-yl-N-pyrrolidin-3-ylethanesulfonamide
CID 115048876
propane;N-pyrrolidin-3-ylmethanesulfonamide
CID 143474568
2-methoxy-N-[(3R)-piperidin-3-yl]ethanesulfonamide
CID 104645644
N-(azetidin-3-yl)-2,2-dimethylpropane-1-sulfonamide
CID 66186773
N-[(3S)-piperidin-3-yl]ethanesulfonamide;hydrochloride
CID 53256488
N-[(1R,3S)-3-ethylcyclohexyl]-3,3-dimethylbutane-1-sulfonamide
CID 99810517
(3R)-3-(dimethylsulfamoylamino)pyrrolidine
CID 79685211
4-(2-methylbutan-2-yl)-N-pyrrolidin-3-ylbenzenesulfonamide
CID 119967100

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-pyrrolidin-3-ylbutane-1-sulfonamide?
The IUPAC name of 3,3-dimethyl-N-pyrrolidin-3-ylbutane-1-sulfonamide (CID 103828888) is 3,3-dimethyl-N-pyrrolidin-3-ylbutane-1-sulfonamide.
What is the SMILES notation for 3,3-dimethyl-N-pyrrolidin-3-ylbutane-1-sulfonamide?
The canonical SMILES for 3,3-dimethyl-N-pyrrolidin-3-ylbutane-1-sulfonamide is CC(C)(C)CCS(=O)(=O)NC1CCNC1.
What is the InChIKey of 3,3-dimethyl-N-pyrrolidin-3-ylbutane-1-sulfonamide?
The InChIKey is WIGLOZILAJYKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-10(2,3)5-7-15(13,14)12-9-4-6-11-8-9/h9,11-12H,4-8H2,1-3H3.
What are the key properties of 3,3-dimethyl-N-pyrrolidin-3-ylbutane-1-sulfonamide?
3,3-dimethyl-N-pyrrolidin-3-ylbutane-1-sulfonamide has a molecular weight of 234.36 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-pyrrolidin-3-ylbutane-1-sulfonamide is sourced from PubChem (CID 103828888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).