1-butylsulfonyl-N-(piperidin-3-ylmethyl)pyrrolidine-2-carboxamide

C15H29N3O3S — CID 119460608

IUPAC1-butylsulfonyl-N-(piperidin-3-ylmethyl)pyrrolidine-2-carboxamide
SMILESCCCCS(=O)(=O)N1CCCC1C(=O)NCC1CCCNC1
InChIInChI=1S/C15H29N3O3S/c1-2-3-10-22(20,21)18-9-5-7-14(18)15(19)17-12-13-6-4-8-16-11-13/h13-14,16H,2-12H2,1H3,(H,17,19)
InChIKeyHFFMKVIRLYUMBZ-UHFFFAOYSA-N
MW331.48 g/mol
LogP0.70
Rot. Bonds7

About 1-butylsulfonyl-N-(piperidin-3-ylmethyl)pyrrolidine-2-carboxamide

1-butylsulfonyl-N-(piperidin-3-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 119460608) has the molecular formula C15H29N3O3S and a molecular weight of 331.48 g/mol. Its IUPAC name is 1-butylsulfonyl-N-(piperidin-3-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-butylsulfonyl-N-(piperidin-3-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID119460608
Molecular FormulaC15H29N3O3S
Molecular Weight331.48 g/mol
Exact Mass331.19
IUPAC Name1-butylsulfonyl-N-(piperidin-3-ylmethyl)pyrrolidine-2-carboxamide
SMILESCCCCS(=O)(=O)N1CCCC1C(=O)NCC1CCCNC1
InChIInChI=1S/C15H29N3O3S/c1-2-3-10-22(20,21)18-9-5-7-14(18)15(19)17-12-13-6-4-8-16-11-13/h13-14,16H,2-12H2,1H3,(H,17,19)
InChIKeyHFFMKVIRLYUMBZ-UHFFFAOYSA-N
XLogP0.70
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.48
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-butylsulfonyl-N-(piperidin-3-ylmethyl)piperidine-4-carboxamide
CID 119461322
1-butylsulfonyl-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119500648
1-butylsulfonyl-N-(2-piperidin-3-ylethyl)piperidine-4-carboxamide
CID 119556402
(2S)-1-butylsulfonyl-N-cyclohexylpyrrolidine-2-carboxamide
CID 110285824
1-[[(1-butylsulfonylpyrrolidine-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544637
(2R)-2-[(1-butylsulfonylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 119370214
1-butylsulfonyl-2-methyl-1,4-diazepane
CID 82243284
4-[[(1-butylsulfonylpyrrolidine-2-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 120542866
butyl N-(piperidin-3-ylmethyl)carbamate
CID 154053920
N-(2-aminoethyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 119383139
N-(cyclopropylmethyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 47158071
2,2,3,3-tetramethyl-N-(piperidin-3-ylmethyl)cyclopropane-1-carboxamide
CID 66475790

Frequently Asked Questions

What is the IUPAC name of 1-butylsulfonyl-N-(piperidin-3-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-butylsulfonyl-N-(piperidin-3-ylmethyl)pyrrolidine-2-carboxamide (CID 119460608) is 1-butylsulfonyl-N-(piperidin-3-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-butylsulfonyl-N-(piperidin-3-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-butylsulfonyl-N-(piperidin-3-ylmethyl)pyrrolidine-2-carboxamide is CCCCS(=O)(=O)N1CCCC1C(=O)NCC1CCCNC1.
What is the InChIKey of 1-butylsulfonyl-N-(piperidin-3-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is HFFMKVIRLYUMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3S/c1-2-3-10-22(20,21)18-9-5-7-14(18)15(19)17-12-13-6-4-8-16-11-13/h13-14,16H,2-12H2,1H3,(H,17,19).
What are the key properties of 1-butylsulfonyl-N-(piperidin-3-ylmethyl)pyrrolidine-2-carboxamide?
1-butylsulfonyl-N-(piperidin-3-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 331.48 g/mol, XLogP of 0.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfonyl-N-(piperidin-3-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 119460608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).