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

C10H22N2O2S — CID 63623248

IUPACN-(2-pyrrolidin-3-ylethyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCC1CCNC1
InChIInChI=1S/C10H22N2O2S/c1-2-3-8-15(13,14)12-7-5-10-4-6-11-9-10/h10-12H,2-9H2,1H3
InChIKeyOFNOFFFWCSZIND-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.71
Rot. Bonds7

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

N-(2-pyrrolidin-3-ylethyl)butane-1-sulfonamide (PubChem CID 63623248) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is N-(2-pyrrolidin-3-ylethyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-pyrrolidin-3-ylethyl)butane-1-sulfonamide
PubChem CID63623248
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC NameN-(2-pyrrolidin-3-ylethyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCC1CCNC1
InChIInChI=1S/C10H22N2O2S/c1-2-3-8-15(13,14)12-7-5-10-4-6-11-9-10/h10-12H,2-9H2,1H3
InChIKeyOFNOFFFWCSZIND-UHFFFAOYSA-N
XLogP0.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-piperidin-3-ylethyl)propane-1-sulfonamide
CID 60895183
N-(2-piperidin-3-ylethyl)propane-1-sulfonamide;hydrochloride
CID 119979578
3,3-dimethyl-N-(2-pyrrolidin-3-ylethyl)butane-1-sulfonamide
CID 103828982
4-(2-pyrrolidin-3-ylethylsulfamoyl)butanoic acid
CID 55249778
4-(butylsulfonylamino)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119977075
2-propan-2-yloxy-N-(2-pyrrolidin-3-ylethyl)ethanesulfonamide
CID 79594316
methyl 3-(2-pyrrolidin-3-ylethylsulfamoyl)propanoate
CID 55247848
2-methylsulfonyl-N-(2-piperidin-3-ylethyl)ethanesulfonamide
CID 63245397
methyl 4-(2-piperidin-3-ylethylsulfamoyl)butanoate
CID 63629231
N-(2-pyrrolidin-3-ylethyl)propane-2-sulfonamide
CID 63624529
3-[2-[[ethyl(methyl)sulfamoyl]amino]ethyl]pyrrolidine
CID 119977011
N-[2-(2-pyrrolidin-3-ylethylsulfamoyl)ethyl]benzenesulfonamide
CID 119977448

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-3-ylethyl)butane-1-sulfonamide?
The IUPAC name of N-(2-pyrrolidin-3-ylethyl)butane-1-sulfonamide (CID 63623248) is N-(2-pyrrolidin-3-ylethyl)butane-1-sulfonamide.
What is the SMILES notation for N-(2-pyrrolidin-3-ylethyl)butane-1-sulfonamide?
The canonical SMILES for N-(2-pyrrolidin-3-ylethyl)butane-1-sulfonamide is CCCCS(=O)(=O)NCCC1CCNC1.
What is the InChIKey of N-(2-pyrrolidin-3-ylethyl)butane-1-sulfonamide?
The InChIKey is OFNOFFFWCSZIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-2-3-8-15(13,14)12-7-5-10-4-6-11-9-10/h10-12H,2-9H2,1H3.
What are the key properties of N-(2-pyrrolidin-3-ylethyl)butane-1-sulfonamide?
N-(2-pyrrolidin-3-ylethyl)butane-1-sulfonamide has a molecular weight of 234.36 g/mol, XLogP of 0.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-3-ylethyl)butane-1-sulfonamide is sourced from PubChem (CID 63623248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).