(2S)-N-butylpyrrolidine-2-sulfonamide

C8H18N2O2S — CID 101411105

IUPAC(2S)-N-butylpyrrolidine-2-sulfonamide
SMILESCCCCNS(=O)(=O)[C@H]1CCCN1
InChIInChI=1S/C8H18N2O2S/c1-2-3-7-10-13(11,12)8-5-4-6-9-8/h8-10H,2-7H2,1H3/t8-/m0/s1
InChIKeyHHTLATBRBGWSPP-QMMMGPOBSA-N
MW206.31 g/mol
LogP0.42
Rot. Bonds5

About (2S)-N-butylpyrrolidine-2-sulfonamide

(2S)-N-butylpyrrolidine-2-sulfonamide (PubChem CID 101411105) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is (2S)-N-butylpyrrolidine-2-sulfonamide.

Molecular Properties

Compound Name(2S)-N-butylpyrrolidine-2-sulfonamide
PubChem CID101411105
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name(2S)-N-butylpyrrolidine-2-sulfonamide
SMILESCCCCNS(=O)(=O)[C@H]1CCCN1
InChIInChI=1S/C8H18N2O2S/c1-2-3-7-10-13(11,12)8-5-4-6-9-8/h8-10H,2-7H2,1H3/t8-/m0/s1
InChIKeyHHTLATBRBGWSPP-QMMMGPOBSA-N
XLogP0.42
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-butylpyrrolidine-2-carboxamide
CID 22691332
N-propyl-2-pyrrolidin-2-ylethanesulfonamide
CID 115071362
(2R)-pyrrolidine-2-sulfonamide
CID 54014211
2-(2-methylpropylsulfonyl)pyrrolidine
CID 174885308
1-butyl-3-(pyrrolidin-2-ylmethyl)urea
CID 62540044
N-butylacetamide;pyrrolidin-2-ylmethanol
CID 144581218
2-[2-(dipropylsulfamoylamino)ethyl]pyrrolidine
CID 114794083
1-(butylsulfamoyl)piperidine-2-carboxylic acid
CID 60857762
(1R,2R,4S)-4-amino-N-butyl-5-cyclohexyl-1,2-dihydroxypentane-1-sulfonamide
CID 54512345
N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 59418450
N-(2-piperidin-2-ylethyl)propane-1-sulfonamide
CID 24703797
(2R)-N-[2-(ethylsulfamoyl)ethyl]pyrrolidine-2-carboxamide
CID 103796458

Frequently Asked Questions

What is the IUPAC name of (2S)-N-butylpyrrolidine-2-sulfonamide?
The IUPAC name of (2S)-N-butylpyrrolidine-2-sulfonamide (CID 101411105) is (2S)-N-butylpyrrolidine-2-sulfonamide.
What is the SMILES notation for (2S)-N-butylpyrrolidine-2-sulfonamide?
The canonical SMILES for (2S)-N-butylpyrrolidine-2-sulfonamide is CCCCNS(=O)(=O)[C@H]1CCCN1.
What is the InChIKey of (2S)-N-butylpyrrolidine-2-sulfonamide?
The InChIKey is HHTLATBRBGWSPP-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-2-3-7-10-13(11,12)8-5-4-6-9-8/h8-10H,2-7H2,1H3/t8-/m0/s1.
What are the key properties of (2S)-N-butylpyrrolidine-2-sulfonamide?
(2S)-N-butylpyrrolidine-2-sulfonamide has a molecular weight of 206.31 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-butylpyrrolidine-2-sulfonamide is sourced from PubChem (CID 101411105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).