N-butan-2-yl-1-methylsulfonylpiperidine-4-carboxamide

C11H22N2O3S — CID 3157092

IUPACN-butan-2-yl-1-methylsulfonylpiperidine-4-carboxamide
SMILESCCC(C)NC(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C11H22N2O3S/c1-4-9(2)12-11(14)10-5-7-13(8-6-10)17(3,15)16/h9-10H,4-8H2,1-3H3,(H,12,14)
InChIKeyNYEHCLMEJPRGCJ-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.57
Rot. Bonds4

About N-butan-2-yl-1-methylsulfonylpiperidine-4-carboxamide

N-butan-2-yl-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 3157092) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is N-butan-2-yl-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID3157092
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC NameN-butan-2-yl-1-methylsulfonylpiperidine-4-carboxamide
SMILESCCC(C)NC(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C11H22N2O3S/c1-4-9(2)12-11(14)10-5-7-13(8-6-10)17(3,15)16/h9-10H,4-8H2,1-3H3,(H,12,14)
InChIKeyNYEHCLMEJPRGCJ-UHFFFAOYSA-N
XLogP0.57
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.57
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 N-butan-2-yl-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-butan-2-yl-1-methylsulfonylpiperidine-4-carboxamide (CID 3157092) is N-butan-2-yl-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-1-methylsulfonylpiperidine-4-carboxamide is CCC(C)NC(=O)C1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-butan-2-yl-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is NYEHCLMEJPRGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-4-9(2)12-11(14)10-5-7-13(8-6-10)17(3,15)16/h9-10H,4-8H2,1-3H3,(H,12,14).
What are the key properties of N-butan-2-yl-1-methylsulfonylpiperidine-4-carboxamide?
N-butan-2-yl-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 262.37 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3157092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).