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

C18H33N3O4S — CID 3241130

IUPACN-(2,3-dimethylcyclohexyl)-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide
SMILESCC1CCCC(NC(=O)C2CCN(S(=O)(=O)N3CCOCC3)CC2)C1C
InChIInChI=1S/C18H33N3O4S/c1-14-4-3-5-17(15(14)2)19-18(22)16-6-8-20(9-7-16)26(23,24)21-10-12-25-13-11-21/h14-17H,3-13H2,1-2H3,(H,19,22)
InChIKeyZZXHZVKGUYRZKM-UHFFFAOYSA-N
MW387.55 g/mol
LogP1.22
Rot. Bonds4

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

N-(2,3-dimethylcyclohexyl)-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide (PubChem CID 3241130) 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-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide
PubChem CID3241130
Molecular FormulaC18H33N3O4S
Molecular Weight387.55 g/mol
Exact Mass387.22
IUPAC NameN-(2,3-dimethylcyclohexyl)-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide
SMILESCC1CCCC(NC(=O)C2CCN(S(=O)(=O)N3CCOCC3)CC2)C1C
InChIInChI=1S/C18H33N3O4S/c1-14-4-3-5-17(15(14)2)19-18(22)16-6-8-20(9-7-16)26(23,24)21-10-12-25-13-11-21/h14-17H,3-13H2,1-2H3,(H,19,22)
InChIKeyZZXHZVKGUYRZKM-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide (CID 3241130) is N-(2,3-dimethylcyclohexyl)-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide is CC1CCCC(NC(=O)C2CCN(S(=O)(=O)N3CCOCC3)CC2)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is ZZXHZVKGUYRZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O4S/c1-14-4-3-5-17(15(14)2)19-18(22)16-6-8-20(9-7-16)26(23,24)21-10-12-25-13-11-21/h14-17H,3-13H2,1-2H3,(H,19,22).
What are the key properties of N-(2,3-dimethylcyclohexyl)-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide?
N-(2,3-dimethylcyclohexyl)-1-morpholin-4-ylsulfonylpiperidine-4-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-4-carboxamide is sourced from PubChem (CID 3241130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).