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

C13H22N2O3S — CID 127363128

IUPACN-(cyclopropylmethyl)-1-cyclopropylsulfonylpiperidine-3-carboxamide
SMILESO=C(NCC1CC1)C1CCCN(S(=O)(=O)C2CC2)C1
InChIInChI=1S/C13H22N2O3S/c16-13(14-8-10-3-4-10)11-2-1-7-15(9-11)19(17,18)12-5-6-12/h10-12H,1-9H2,(H,14,16)
InChIKeyVOQBAYYPONOMBN-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.72
Rot. Bonds5

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

N-(cyclopropylmethyl)-1-cyclopropylsulfonylpiperidine-3-carboxamide (PubChem CID 127363128) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-cyclopropylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-cyclopropylsulfonylpiperidine-3-carboxamide
PubChem CID127363128
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC NameN-(cyclopropylmethyl)-1-cyclopropylsulfonylpiperidine-3-carboxamide
SMILESO=C(NCC1CC1)C1CCCN(S(=O)(=O)C2CC2)C1
InChIInChI=1S/C13H22N2O3S/c16-13(14-8-10-3-4-10)11-2-1-7-15(9-11)19(17,18)12-5-6-12/h10-12H,1-9H2,(H,14,16)
InChIKeyVOQBAYYPONOMBN-UHFFFAOYSA-N
XLogP0.72
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)sulfonyl-N-(cyclohexylmethyl)piperidine-3-carboxamide
CID 3214745
N-[[4-[(cyclopentanecarbonylamino)methyl]cyclohexyl]methyl]cyclopentanecarboxamide
CID 125471839
(3S)-1-(2-amino-2-oxoethyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide
CID 94161419
N-[[1-(1,1-dioxothiolan-3-yl)sulfonylpiperidin-4-yl]methyl]cyclopentanecarboxamide
CID 131897834
1-(4-acetamidophenyl)sulfonyl-N-(cyclohexylmethyl)piperidine-3-carboxamide
CID 58702055
N-(cyclohexylmethyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-3-carboxamide
CID 58702063
N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]cyclobutanecarboxamide
CID 131893952
N-(cyclopropylmethyl)-1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide
CID 86993577
(3R)-1-(2-chloroprop-2-enyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide
CID 94161409
N-[(4-ethylcyclohexyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 48861702
N-(2-methoxyethyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 2992280
N-(cyclopropylmethyl)-1-[2-(methylamino)acetyl]piperidine-3-carboxamide;hydrochloride
CID 119724080

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-cyclopropylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1-cyclopropylsulfonylpiperidine-3-carboxamide (CID 127363128) is N-(cyclopropylmethyl)-1-cyclopropylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-cyclopropylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-cyclopropylsulfonylpiperidine-3-carboxamide is O=C(NCC1CC1)C1CCCN(S(=O)(=O)C2CC2)C1.
What is the InChIKey of N-(cyclopropylmethyl)-1-cyclopropylsulfonylpiperidine-3-carboxamide?
The InChIKey is VOQBAYYPONOMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c16-13(14-8-10-3-4-10)11-2-1-7-15(9-11)19(17,18)12-5-6-12/h10-12H,1-9H2,(H,14,16).
What are the key properties of N-(cyclopropylmethyl)-1-cyclopropylsulfonylpiperidine-3-carboxamide?
N-(cyclopropylmethyl)-1-cyclopropylsulfonylpiperidine-3-carboxamide has a molecular weight of 286.40 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-cyclopropylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 127363128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).