N-(cyclopropylmethyl)-1-methylsulfonylpiperidine-3-carboxamide

C11H20N2O3S — CID 47031001

IUPACN-(cyclopropylmethyl)-1-methylsulfonylpiperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCCC(C(=O)NCC2CC2)C1
InChIInChI=1S/C11H20N2O3S/c1-17(15,16)13-6-2-3-10(8-13)11(14)12-7-9-4-5-9/h9-10H,2-8H2,1H3,(H,12,14)
InChIKeyJXADPCCHQGFNKG-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.18
Rot. Bonds4

About N-(cyclopropylmethyl)-1-methylsulfonylpiperidine-3-carboxamide

N-(cyclopropylmethyl)-1-methylsulfonylpiperidine-3-carboxamide (PubChem CID 47031001) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-methylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-methylsulfonylpiperidine-3-carboxamide
PubChem CID47031001
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC NameN-(cyclopropylmethyl)-1-methylsulfonylpiperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCCC(C(=O)NCC2CC2)C1
InChIInChI=1S/C11H20N2O3S/c1-17(15,16)13-6-2-3-10(8-13)11(14)12-7-9-4-5-9/h9-10H,2-8H2,1H3,(H,12,14)
InChIKeyJXADPCCHQGFNKG-UHFFFAOYSA-N
XLogP0.18
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methoxypropyl)-1-(methylsulfonyl)piperidine-3-carboxamide
CID 2990797
1-methylsulfonyl-N-prop-2-enylpiperidine-3-carboxamide
CID 3242535
N-Butyl-1-(propane-1-sulfonyl)piperidine-3-carboxamide
CID 5193635
N-butyl-1-(ethylsulfonyl)piperidine-3-carboxamide
CID 5136285
N-cyclohexyl-1-(propylsulfonyl)piperidine-3-carboxamide
CID 3236558
N-isopropyl-1-(methylsulfonyl)piperidine-3-carboxamide
CID 3237649
1-(ethylsulfonyl)-N-(3-methoxypropyl)piperidine-3-carboxamide
CID 3238160
N-(3-Methoxypropyl)-1-(propane-1-sulfonyl)piperidine-3-carboxamide
CID 4621782
N-cyclopentyl-1-(ethylsulfonyl)piperidine-3-carboxamide
CID 3239584
N-cyclooctyl-1-(methylsulfonyl)piperidine-3-carboxamide
CID 3241429
N-[2-(diethylamino)ethyl]-1-(propylsulfonyl)piperidine-3-carboxamide
CID 3243096
N-cyclohexyl-1-(ethylsulfonyl)piperidine-3-carboxamide
CID 3237439

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-methylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1-methylsulfonylpiperidine-3-carboxamide (CID 47031001) is N-(cyclopropylmethyl)-1-methylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-methylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-methylsulfonylpiperidine-3-carboxamide is CS(=O)(=O)N1CCCC(C(=O)NCC2CC2)C1.
What is the InChIKey of N-(cyclopropylmethyl)-1-methylsulfonylpiperidine-3-carboxamide?
The InChIKey is JXADPCCHQGFNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-17(15,16)13-6-2-3-10(8-13)11(14)12-7-9-4-5-9/h9-10H,2-8H2,1H3,(H,12,14).
What are the key properties of N-(cyclopropylmethyl)-1-methylsulfonylpiperidine-3-carboxamide?
N-(cyclopropylmethyl)-1-methylsulfonylpiperidine-3-carboxamide has a molecular weight of 260.36 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-methylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 47031001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).