2-methyl-N-[(3S)-1-[(2S)-2-methylpentyl]sulfonylpiperidin-3-yl]propanamide

C15H30N2O3S — CID 95626033

IUPAC2-methyl-N-[(3S)-1-[(2S)-2-methylpentyl]sulfonylpiperidin-3-yl]propanamide
SMILESCCC[C@H](C)CS(=O)(=O)N1CCC[C@H](NC(=O)C(C)C)C1
InChIInChI=1S/C15H30N2O3S/c1-5-7-13(4)11-21(19,20)17-9-6-8-14(10-17)16-15(18)12(2)3/h12-14H,5-11H2,1-4H3,(H,16,18)/t13-,14-/m0/s1
InChIKeyWBRXDILOVMYMMF-KBPBESRZSA-N
MW318.48 g/mol
LogP1.99
Rot. Bonds7

About 2-methyl-N-[(3S)-1-[(2S)-2-methylpentyl]sulfonylpiperidin-3-yl]propanamide

2-methyl-N-[(3S)-1-[(2S)-2-methylpentyl]sulfonylpiperidin-3-yl]propanamide (PubChem CID 95626033) has the molecular formula C15H30N2O3S and a molecular weight of 318.48 g/mol. Its IUPAC name is 2-methyl-N-[(3S)-1-[(2S)-2-methylpentyl]sulfonylpiperidin-3-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(3S)-1-[(2S)-2-methylpentyl]sulfonylpiperidin-3-yl]propanamide
PubChem CID95626033
Molecular FormulaC15H30N2O3S
Molecular Weight318.48 g/mol
Exact Mass318.20
IUPAC Name2-methyl-N-[(3S)-1-[(2S)-2-methylpentyl]sulfonylpiperidin-3-yl]propanamide
SMILESCCC[C@H](C)CS(=O)(=O)N1CCC[C@H](NC(=O)C(C)C)C1
InChIInChI=1S/C15H30N2O3S/c1-5-7-13(4)11-21(19,20)17-9-6-8-14(10-17)16-15(18)12(2)3/h12-14H,5-11H2,1-4H3,(H,16,18)/t13-,14-/m0/s1
InChIKeyWBRXDILOVMYMMF-KBPBESRZSA-N
XLogP1.99
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.48
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-1-(ethylsulfonyl)piperidine-4-carboxamide
CID 3236575
1-(propylsulfonyl)-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
CID 3243812
N-Butyl-1-(propane-1-sulfonyl)piperidine-3-carboxamide
CID 5193635
N-(3-methylbutyl)-1-(propylsulfonyl)piperidine-4-carboxamide
CID 4295316
N-butyl-1-(ethylsulfonyl)piperidine-3-carboxamide
CID 5136285
Pentanamide, N-(1-(ethylsulfonyl)-4-piperidinyl)-2-propyl-
CID 1822717
N-cyclohexyl-1-(propylsulfonyl)piperidine-3-carboxamide
CID 3236558
N-(sec-butyl)-1-(ethylsulfonyl)piperidine-4-carboxamide
CID 3237619
N-isopropyl-1-(methylsulfonyl)piperidine-3-carboxamide
CID 3237649
N-[3-(Diethylamino)propyl]-1-(ethanesulfonyl)piperidine-4-carboxamide
CID 3599497
N-cyclopentyl-1-(ethylsulfonyl)piperidine-3-carboxamide
CID 3239584
N-[2-(diethylamino)ethyl]-1-(propylsulfonyl)piperidine-3-carboxamide
CID 3243096

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3S)-1-[(2S)-2-methylpentyl]sulfonylpiperidin-3-yl]propanamide?
The IUPAC name of 2-methyl-N-[(3S)-1-[(2S)-2-methylpentyl]sulfonylpiperidin-3-yl]propanamide (CID 95626033) is 2-methyl-N-[(3S)-1-[(2S)-2-methylpentyl]sulfonylpiperidin-3-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[(3S)-1-[(2S)-2-methylpentyl]sulfonylpiperidin-3-yl]propanamide?
The canonical SMILES for 2-methyl-N-[(3S)-1-[(2S)-2-methylpentyl]sulfonylpiperidin-3-yl]propanamide is CCC[C@H](C)CS(=O)(=O)N1CCC[C@H](NC(=O)C(C)C)C1.
What is the InChIKey of 2-methyl-N-[(3S)-1-[(2S)-2-methylpentyl]sulfonylpiperidin-3-yl]propanamide?
The InChIKey is WBRXDILOVMYMMF-KBPBESRZSA-N. The full InChI is InChI=1S/C15H30N2O3S/c1-5-7-13(4)11-21(19,20)17-9-6-8-14(10-17)16-15(18)12(2)3/h12-14H,5-11H2,1-4H3,(H,16,18)/t13-,14-/m0/s1.
What are the key properties of 2-methyl-N-[(3S)-1-[(2S)-2-methylpentyl]sulfonylpiperidin-3-yl]propanamide?
2-methyl-N-[(3S)-1-[(2S)-2-methylpentyl]sulfonylpiperidin-3-yl]propanamide has a molecular weight of 318.48 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3S)-1-[(2S)-2-methylpentyl]sulfonylpiperidin-3-yl]propanamide is sourced from PubChem (CID 95626033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).