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

C19H29N3OS — CID 119870109

IUPAC1-amino-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide
SMILESCc1c(CN2CCSCC2)cccc1NC(=O)C1(N)CCCCC1
InChIInChI=1S/C19H29N3OS/c1-15-16(14-22-10-12-24-13-11-22)6-5-7-17(15)21-18(23)19(20)8-3-2-4-9-19/h5-7H,2-4,8-14,20H2,1H3,(H,21,23)
InChIKeyGZHZJLOVFOZWLT-UHFFFAOYSA-N
MW347.53 g/mol
LogP3.14
Rot. Bonds4

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

1-amino-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide (PubChem CID 119870109) has the molecular formula C19H29N3OS and a molecular weight of 347.53 g/mol. Its IUPAC name is 1-amino-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide
PubChem CID119870109
Molecular FormulaC19H29N3OS
Molecular Weight347.53 g/mol
Exact Mass347.20
IUPAC Name1-amino-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide
SMILESCc1c(CN2CCSCC2)cccc1NC(=O)C1(N)CCCCC1
InChIInChI=1S/C19H29N3OS/c1-15-16(14-22-10-12-24-13-11-22)6-5-7-17(15)21-18(23)19(20)8-3-2-4-9-19/h5-7H,2-4,8-14,20H2,1H3,(H,21,23)
InChIKeyGZHZJLOVFOZWLT-UHFFFAOYSA-N
XLogP3.14
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.53
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-methyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]propanamide;dihydrochloride
CID 119870046
4-methoxy-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide
CID 119870105
4-(methoxymethyl)-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide
CID 120645765
1-amino-N-[2-methyl-3-(propan-2-ylsulfanylmethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119333795
1-amino-N-[3-(thiomorpholin-4-ylmethyl)phenyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119869772
2-amino-3-methyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]pentanamide;dihydrochloride
CID 119870106
2-amino-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]-3-phenylpropanamide
CID 119870055
3,4-dimethyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]benzamide
CID 49008896
4-methyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]thiophene-3-carboxamide
CID 122146673
3-amino-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119870064
2-(2-methoxyethylamino)-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]acetamide
CID 119870115
N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]-4-oxo-4-phenylbutanamide
CID 49065284

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide (CID 119870109) is 1-amino-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide is Cc1c(CN2CCSCC2)cccc1NC(=O)C1(N)CCCCC1.
What is the InChIKey of 1-amino-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide?
The InChIKey is GZHZJLOVFOZWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3OS/c1-15-16(14-22-10-12-24-13-11-22)6-5-7-17(15)21-18(23)19(20)8-3-2-4-9-19/h5-7H,2-4,8-14,20H2,1H3,(H,21,23).
What are the key properties of 1-amino-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide?
1-amino-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide has a molecular weight of 347.53 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119870109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).