3-amino-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide;dihydrochloride

C19H31Cl2N3OS — CID 119870064

IUPAC3-amino-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCc1c(CN2CCSCC2)cccc1NC(=O)C1CCCC(N)C1.Cl.Cl
InChIInChI=1S/C19H29N3OS.2ClH/c1-14-16(13-22-8-10-24-11-9-22)5-3-7-18(14)21-19(23)15-4-2-6-17(20)12-15;;/h3,5,7,15,17H,2,4,6,8-13,20H2,1H3,(H,21,23);2*1H
InChIKeyWKNUYMPKBRYXJO-UHFFFAOYSA-N
MW420.45 g/mol
LogP3.84
Rot. Bonds4

About 3-amino-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide;dihydrochloride

3-amino-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide;dihydrochloride (PubChem CID 119870064) has the molecular formula C19H31Cl2N3OS and a molecular weight of 420.45 g/mol. Its IUPAC name is 3-amino-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide;dihydrochloride
PubChem CID119870064
Molecular FormulaC19H31Cl2N3OS
Molecular Weight420.45 g/mol
Exact Mass419.16
IUPAC Name3-amino-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCc1c(CN2CCSCC2)cccc1NC(=O)C1CCCC(N)C1.Cl.Cl
InChIInChI=1S/C19H29N3OS.2ClH/c1-14-16(13-22-8-10-24-11-9-22)5-3-7-18(14)21-19(23)15-4-2-6-17(20)12-15;;/h3,5,7,15,17H,2,4,6,8-13,20H2,1H3,(H,21,23);2*1H
InChIKeyWKNUYMPKBRYXJO-UHFFFAOYSA-N
XLogP3.84
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.45
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide;dihydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

2-amino-2-methyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]propanamide;dihydrochloride
CID 119870046
3-amino-N-(3-chloro-2-methylphenyl)cyclohexane-1-carboxamide
CID 55146162
(2S,5R)-5-(aminomethyl)-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]oxolane-2-carboxamide
CID 120799406
3-amino-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]cyclohexane-1-carboxamide
CID 119852898
1-amino-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide
CID 119870109
3-amino-N-[4-(2-thiomorpholin-4-ylethyl)phenyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119869842
2-amino-3-methyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]pentanamide;dihydrochloride
CID 119870106
N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]morpholine-2-carboxamide
CID 119870111
3-amino-N-naphthalen-1-ylcyclohexane-1-carboxamide;hydrochloride
CID 119671192
2-amino-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]-3-phenylpropanamide
CID 119870055
3-amino-N-naphthalen-1-ylcyclohexane-1-carboxamide
CID 63042139
3,4-dimethyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]benzamide
CID 49008896

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide;dihydrochloride?
The IUPAC name of 3-amino-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide;dihydrochloride (CID 119870064) is 3-amino-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide;dihydrochloride is Cc1c(CN2CCSCC2)cccc1NC(=O)C1CCCC(N)C1.Cl.Cl.
What is the InChIKey of 3-amino-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide;dihydrochloride?
The InChIKey is WKNUYMPKBRYXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3OS.2ClH/c1-14-16(13-22-8-10-24-11-9-22)5-3-7-18(14)21-19(23)15-4-2-6-17(20)12-15;;/h3,5,7,15,17H,2,4,6,8-13,20H2,1H3,(H,21,23);2*1H.
What are the key properties of 3-amino-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide;dihydrochloride?
3-amino-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide;dihydrochloride has a molecular weight of 420.45 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119870064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).