N-(2,3-dimethylcyclohexyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide

C18H33N3O4S — CID 126458859

IUPACN-(2,3-dimethylcyclohexyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
SMILESCC1CCCC(NC(=O)C2CCCN(S(=O)(=O)N3CCOCC3)C2)C1C
InChIInChI=1S/C18H33N3O4S/c1-14-5-3-7-17(15(14)2)19-18(22)16-6-4-8-21(13-16)26(23,24)20-9-11-25-12-10-20/h14-17H,3-13H2,1-2H3,(H,19,22)
InChIKeyJYUHOORKLOAVHP-UHFFFAOYSA-N
MW387.55 g/mol
LogP1.22
Rot. Bonds4

About N-(2,3-dimethylcyclohexyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide

N-(2,3-dimethylcyclohexyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide (PubChem CID 126458859) has the molecular formula C18H33N3O4S and a molecular weight of 387.55 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
PubChem CID126458859
Molecular FormulaC18H33N3O4S
Molecular Weight387.55 g/mol
Exact Mass387.22
IUPAC NameN-(2,3-dimethylcyclohexyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
SMILESCC1CCCC(NC(=O)C2CCCN(S(=O)(=O)N3CCOCC3)C2)C1C
InChIInChI=1S/C18H33N3O4S/c1-14-5-3-7-17(15(14)2)19-18(22)16-6-4-8-21(13-16)26(23,24)20-9-11-25-12-10-20/h14-17H,3-13H2,1-2H3,(H,19,22)
InChIKeyJYUHOORKLOAVHP-UHFFFAOYSA-N
XLogP1.22
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.55
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(azepan-1-ylsulfonyl)-N-(2,3-dimethylcyclohexyl)piperidine-3-carboxamide
CID 156601462
N-cyclohexyl-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
CID 22552797
N-(2,3-dimethylcyclohexyl)-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide
CID 20868978
N-(2-aminoethyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
CID 63253133
azepan-1-yl-(1-morpholin-4-ylsulfonylpiperidin-3-yl)methanone
CID 22552707
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 26744296
(3R)-1-morpholin-4-ylsulfonyl-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
CID 92686965
N-(2,4-dimethylphenyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
CID 22552749
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 11919996
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 98518961
(3R)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 124817203
(3R)-N-[(2-chlorophenyl)methyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
CID 92686919

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide (CID 126458859) is N-(2,3-dimethylcyclohexyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide is CC1CCCC(NC(=O)C2CCCN(S(=O)(=O)N3CCOCC3)C2)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is JYUHOORKLOAVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O4S/c1-14-5-3-7-17(15(14)2)19-18(22)16-6-4-8-21(13-16)26(23,24)20-9-11-25-12-10-20/h14-17H,3-13H2,1-2H3,(H,19,22).
What are the key properties of N-(2,3-dimethylcyclohexyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide?
N-(2,3-dimethylcyclohexyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 387.55 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 126458859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).