6-(1-benzylsulfonylpyrrolidin-2-yl)-N-ethylhexanamide

C19H30N2O3S — CID 20718946

IUPAC6-(1-benzylsulfonylpyrrolidin-2-yl)-N-ethylhexanamide
SMILESCCNC(=O)CCCCCC1CCCN1S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C19H30N2O3S/c1-2-20-19(22)14-8-4-7-12-18-13-9-15-21(18)25(23,24)16-17-10-5-3-6-11-17/h3,5-6,10-11,18H,2,4,7-9,12-16H2,1H3,(H,20,22)
InChIKeyCVSHUOBHLMUOCU-UHFFFAOYSA-N
MW366.53 g/mol
LogP3.07
Rot. Bonds10

About 6-(1-benzylsulfonylpyrrolidin-2-yl)-N-ethylhexanamide

6-(1-benzylsulfonylpyrrolidin-2-yl)-N-ethylhexanamide (PubChem CID 20718946) has the molecular formula C19H30N2O3S and a molecular weight of 366.53 g/mol. Its IUPAC name is 6-(1-benzylsulfonylpyrrolidin-2-yl)-N-ethylhexanamide.

Molecular Properties

Compound Name6-(1-benzylsulfonylpyrrolidin-2-yl)-N-ethylhexanamide
PubChem CID20718946
Molecular FormulaC19H30N2O3S
Molecular Weight366.53 g/mol
Exact Mass366.20
IUPAC Name6-(1-benzylsulfonylpyrrolidin-2-yl)-N-ethylhexanamide
SMILESCCNC(=O)CCCCCC1CCCN1S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C19H30N2O3S/c1-2-20-19(22)14-8-4-7-12-18-13-9-15-21(18)25(23,24)16-17-10-5-3-6-11-17/h3,5-6,10-11,18H,2,4,7-9,12-16H2,1H3,(H,20,22)
InChIKeyCVSHUOBHLMUOCU-UHFFFAOYSA-N
XLogP3.07
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-benzylsulfonyl-2-decylpyrrolidine
CID 59852625
1-(1-benzylsulfonylpyrrolidin-2-yl)-N-methylmethanamine;hydrochloride
CID 119991099
1-(1-benzylsulfonylazepan-2-yl)propan-2-ol
CID 79540960
1-(1-benzylsulfonylazepan-2-yl)propan-2-one
CID 79541444
(2S)-1-benzylsulfonylpyrrolidine-2-carboxylic acid
CID 10199278
N-ethyl-6-phenylhexanamide
CID 70953257
3-[1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]propan-1-ol
CID 62469370
3-[1-[[3-(aminomethyl)phenyl]methylsulfonyl]pyrrolidin-2-yl]propan-1-ol
CID 62480272
3-amino-N-[[1-[(4-fluorophenyl)methylsulfonyl]piperidin-2-yl]methyl]propanamide
CID 120584541
1-benzylsulfonyl-2-(2-methylbutan-2-yl)pyrrolidine
CID 59852632
(2S)-1-benzylsulfonyl-N-(3-phenylpropyl)piperidine-2-carboxamide
CID 101173677
N-[(1-methylsulfonylpyrrolidin-2-yl)methyl]-4-phenoxybutanamide
CID 110750055

Frequently Asked Questions

What is the IUPAC name of 6-(1-benzylsulfonylpyrrolidin-2-yl)-N-ethylhexanamide?
The IUPAC name of 6-(1-benzylsulfonylpyrrolidin-2-yl)-N-ethylhexanamide (CID 20718946) is 6-(1-benzylsulfonylpyrrolidin-2-yl)-N-ethylhexanamide.
What is the SMILES notation for 6-(1-benzylsulfonylpyrrolidin-2-yl)-N-ethylhexanamide?
The canonical SMILES for 6-(1-benzylsulfonylpyrrolidin-2-yl)-N-ethylhexanamide is CCNC(=O)CCCCCC1CCCN1S(=O)(=O)Cc1ccccc1.
What is the InChIKey of 6-(1-benzylsulfonylpyrrolidin-2-yl)-N-ethylhexanamide?
The InChIKey is CVSHUOBHLMUOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3S/c1-2-20-19(22)14-8-4-7-12-18-13-9-15-21(18)25(23,24)16-17-10-5-3-6-11-17/h3,5-6,10-11,18H,2,4,7-9,12-16H2,1H3,(H,20,22).
What are the key properties of 6-(1-benzylsulfonylpyrrolidin-2-yl)-N-ethylhexanamide?
6-(1-benzylsulfonylpyrrolidin-2-yl)-N-ethylhexanamide has a molecular weight of 366.53 g/mol, XLogP of 3.07, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzylsulfonylpyrrolidin-2-yl)-N-ethylhexanamide is sourced from PubChem (CID 20718946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).