1-methylsulfonyl-N-propan-2-ylpiperidine-4-carboxamide

C10H20N2O3S — CID 3152846

IUPAC1-methylsulfonyl-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H20N2O3S/c1-8(2)11-10(13)9-4-6-12(7-5-9)16(3,14)15/h8-9H,4-7H2,1-3H3,(H,11,13)
InChIKeyLDVVYUJDCJPRMN-UHFFFAOYSA-N
MW248.35 g/mol
LogP0.18
Rot. Bonds3

About 1-methylsulfonyl-N-propan-2-ylpiperidine-4-carboxamide

1-methylsulfonyl-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 3152846) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is 1-methylsulfonyl-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID3152846
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name1-methylsulfonyl-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H20N2O3S/c1-8(2)11-10(13)9-4-6-12(7-5-9)16(3,14)15/h8-9H,4-7H2,1-3H3,(H,11,13)
InChIKeyLDVVYUJDCJPRMN-UHFFFAOYSA-N
XLogP0.18
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-1-(ethylsulfonyl)piperidine-4-carboxamide
CID 3236575
N-(2-methylcyclohexyl)-1-(propylsulfonyl)piperidine-4-carboxamide
CID 3238894
1-(ethylsulfonyl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide
CID 3239105
N-(sec-butyl)-1-(pyrrolidin-1-ylsulfonyl)piperidine-4-carboxamide
CID 3239200
N-(3-methoxypropyl)-1-(propylsulfonyl)piperidine-4-carboxamide
CID 3241491
N-cycloheptyl-1-(2-methylpropylsulfonyl)piperidine-4-carboxamide
CID 57391642
N-cycloheptyl-1-propan-2-ylsulfonylpiperidine-4-carboxamide
CID 57393386
N-(3-methylbutyl)-1-(propylsulfonyl)piperidine-4-carboxamide
CID 4295316
N-(1-Methanesulfonyl-piperidin-4-yl)-2,2-dimethyl-propionamide
CID 3218771
Pentanamide, N-(1-(ethylsulfonyl)-4-piperidinyl)-2-propyl-
CID 1822717
N-(sec-butyl)-1-(ethylsulfonyl)piperidine-4-carboxamide
CID 3237619
N-isopropyl-1-(methylsulfonyl)piperidine-3-carboxamide
CID 3237649

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-propan-2-ylpiperidine-4-carboxamide (CID 3152846) is 1-methylsulfonyl-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-propan-2-ylpiperidine-4-carboxamide is CC(C)NC(=O)C1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 1-methylsulfonyl-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is LDVVYUJDCJPRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-8(2)11-10(13)9-4-6-12(7-5-9)16(3,14)15/h8-9H,4-7H2,1-3H3,(H,11,13).
What are the key properties of 1-methylsulfonyl-N-propan-2-ylpiperidine-4-carboxamide?
1-methylsulfonyl-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 248.35 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 3152846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).