3,3-dimethyl-N-(2-pyrrolidin-3-ylethyl)butane-1-sulfonamide

C12H26N2O2S — CID 103828982

IUPAC3,3-dimethyl-N-(2-pyrrolidin-3-ylethyl)butane-1-sulfonamide
SMILESCC(C)(C)CCS(=O)(=O)NCCC1CCNC1
InChIInChI=1S/C12H26N2O2S/c1-12(2,3)6-9-17(15,16)14-8-5-11-4-7-13-10-11/h11,13-14H,4-10H2,1-3H3
InChIKeySJVZTGFMZFICOF-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.34
Rot. Bonds6

About 3,3-dimethyl-N-(2-pyrrolidin-3-ylethyl)butane-1-sulfonamide

3,3-dimethyl-N-(2-pyrrolidin-3-ylethyl)butane-1-sulfonamide (PubChem CID 103828982) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 3,3-dimethyl-N-(2-pyrrolidin-3-ylethyl)butane-1-sulfonamide.

Molecular Properties

Compound Name3,3-dimethyl-N-(2-pyrrolidin-3-ylethyl)butane-1-sulfonamide
PubChem CID103828982
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC Name3,3-dimethyl-N-(2-pyrrolidin-3-ylethyl)butane-1-sulfonamide
SMILESCC(C)(C)CCS(=O)(=O)NCCC1CCNC1
InChIInChI=1S/C12H26N2O2S/c1-12(2,3)6-9-17(15,16)14-8-5-11-4-7-13-10-11/h11,13-14H,4-10H2,1-3H3
InChIKeySJVZTGFMZFICOF-UHFFFAOYSA-N
XLogP1.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-pyrrolidin-3-ylethyl)butane-1-sulfonamide
CID 63623248
2-propan-2-yloxy-N-(2-pyrrolidin-3-ylethyl)ethanesulfonamide
CID 79594316
methyl 3-(2-pyrrolidin-3-ylethylsulfamoyl)propanoate
CID 55247848
N-(2-piperidin-3-ylethyl)propane-1-sulfonamide
CID 60895183
N-(2-piperidin-3-ylethyl)propane-1-sulfonamide;hydrochloride
CID 119979578
4-(2-pyrrolidin-3-ylethylsulfamoyl)butanoic acid
CID 55249778
2-methylsulfonyl-N-(2-piperidin-3-ylethyl)ethanesulfonamide
CID 63245397
N-(2-pyrrolidin-3-ylethyl)propane-2-sulfonamide
CID 63624529
N-[2-(2-pyrrolidin-3-ylethylsulfamoyl)ethyl]benzenesulfonamide
CID 119977448
3,3-dimethyl-N-pyrrolidin-3-ylbutane-1-sulfonamide
CID 103828888
N-(2-pyrrolidin-3-ylethyl)cyclopropanesulfonamide;hydrochloride
CID 119977304
N-methyl-2-pyrrolidin-3-ylethanesulfonamide
CID 115019215

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(2-pyrrolidin-3-ylethyl)butane-1-sulfonamide?
The IUPAC name of 3,3-dimethyl-N-(2-pyrrolidin-3-ylethyl)butane-1-sulfonamide (CID 103828982) is 3,3-dimethyl-N-(2-pyrrolidin-3-ylethyl)butane-1-sulfonamide.
What is the SMILES notation for 3,3-dimethyl-N-(2-pyrrolidin-3-ylethyl)butane-1-sulfonamide?
The canonical SMILES for 3,3-dimethyl-N-(2-pyrrolidin-3-ylethyl)butane-1-sulfonamide is CC(C)(C)CCS(=O)(=O)NCCC1CCNC1.
What is the InChIKey of 3,3-dimethyl-N-(2-pyrrolidin-3-ylethyl)butane-1-sulfonamide?
The InChIKey is SJVZTGFMZFICOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-12(2,3)6-9-17(15,16)14-8-5-11-4-7-13-10-11/h11,13-14H,4-10H2,1-3H3.
What are the key properties of 3,3-dimethyl-N-(2-pyrrolidin-3-ylethyl)butane-1-sulfonamide?
3,3-dimethyl-N-(2-pyrrolidin-3-ylethyl)butane-1-sulfonamide has a molecular weight of 262.42 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(2-pyrrolidin-3-ylethyl)butane-1-sulfonamide is sourced from PubChem (CID 103828982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).