N-(6-methylheptan-2-yl)-1-propylsulfonylpyrrolidine-2-carboxamide

C16H32N2O3S — CID 134035793

IUPACN-(6-methylheptan-2-yl)-1-propylsulfonylpyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCC1C(=O)NC(C)CCCC(C)C
InChIInChI=1S/C16H32N2O3S/c1-5-12-22(20,21)18-11-7-10-15(18)16(19)17-14(4)9-6-8-13(2)3/h13-15H,5-12H2,1-4H3,(H,17,19)
InChIKeyHBTZGRQEZKPFBI-UHFFFAOYSA-N
MW332.51 g/mol
LogP2.52
Rot. Bonds9

About N-(6-methylheptan-2-yl)-1-propylsulfonylpyrrolidine-2-carboxamide

N-(6-methylheptan-2-yl)-1-propylsulfonylpyrrolidine-2-carboxamide (PubChem CID 134035793) has the molecular formula C16H32N2O3S and a molecular weight of 332.51 g/mol. Its IUPAC name is N-(6-methylheptan-2-yl)-1-propylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(6-methylheptan-2-yl)-1-propylsulfonylpyrrolidine-2-carboxamide
PubChem CID134035793
Molecular FormulaC16H32N2O3S
Molecular Weight332.51 g/mol
Exact Mass332.21
IUPAC NameN-(6-methylheptan-2-yl)-1-propylsulfonylpyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCC1C(=O)NC(C)CCCC(C)C
InChIInChI=1S/C16H32N2O3S/c1-5-12-22(20,21)18-11-7-10-15(18)16(19)17-14(4)9-6-8-13(2)3/h13-15H,5-12H2,1-4H3,(H,17,19)
InChIKeyHBTZGRQEZKPFBI-UHFFFAOYSA-N
XLogP2.52
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.51
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(1-butylsulfonylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 119370214
N-(3-aminobutyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 119496331
N-(3-hydroxy-2-methylpropyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 65036791
N-[1-(5-methylfuran-2-yl)ethyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51241405
(2S)-1-propylsulfonylpyrrolidine-2-carboxylic acid
CID 7131642
(2R)-N-[(1R)-1-(4-phenylphenyl)ethyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 98598919
N-(2-aminoethyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 119383139
(2R)-1-(3-methylbutylsulfonyl)pyrrolidine-2-carboxylic acid
CID 78952354
(2S)-2-hydroxy-3-[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 107833370
4-[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]butanoic acid
CID 43355013
(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[(2R)-6-methylheptan-2-yl]pyrrolidine-2-carboxamide
CID 30381376
(2S)-1-butylsulfonyl-N-cyclohexylpyrrolidine-2-carboxamide
CID 110285824

Frequently Asked Questions

What is the IUPAC name of N-(6-methylheptan-2-yl)-1-propylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-(6-methylheptan-2-yl)-1-propylsulfonylpyrrolidine-2-carboxamide (CID 134035793) is N-(6-methylheptan-2-yl)-1-propylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(6-methylheptan-2-yl)-1-propylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(6-methylheptan-2-yl)-1-propylsulfonylpyrrolidine-2-carboxamide is CCCS(=O)(=O)N1CCCC1C(=O)NC(C)CCCC(C)C.
What is the InChIKey of N-(6-methylheptan-2-yl)-1-propylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is HBTZGRQEZKPFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3S/c1-5-12-22(20,21)18-11-7-10-15(18)16(19)17-14(4)9-6-8-13(2)3/h13-15H,5-12H2,1-4H3,(H,17,19).
What are the key properties of N-(6-methylheptan-2-yl)-1-propylsulfonylpyrrolidine-2-carboxamide?
N-(6-methylheptan-2-yl)-1-propylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 332.51 g/mol, XLogP of 2.52, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylheptan-2-yl)-1-propylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 134035793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).