5-amino-2-methyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]benzamide

C19H29N3OS — CID 120646901

IUPAC5-amino-2-methyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]benzamide
SMILESCc1ccc(N)cc1C(=O)NCC1(N2CCSCC2)CCCCC1
InChIInChI=1S/C19H29N3OS/c1-15-5-6-16(20)13-17(15)18(23)21-14-19(7-3-2-4-8-19)22-9-11-24-12-10-22/h5-6,13H,2-4,7-12,14,20H2,1H3,(H,21,23)
InChIKeyOOTOBVXNLDUOKV-UHFFFAOYSA-N
MW347.53 g/mol
LogP3.06
Rot. Bonds4

About 5-amino-2-methyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]benzamide

5-amino-2-methyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]benzamide (PubChem CID 120646901) has the molecular formula C19H29N3OS and a molecular weight of 347.53 g/mol. Its IUPAC name is 5-amino-2-methyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name5-amino-2-methyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]benzamide
PubChem CID120646901
Molecular FormulaC19H29N3OS
Molecular Weight347.53 g/mol
Exact Mass347.20
IUPAC Name5-amino-2-methyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]benzamide
SMILESCc1ccc(N)cc1C(=O)NCC1(N2CCSCC2)CCCCC1
InChIInChI=1S/C19H29N3OS/c1-15-5-6-16(20)13-17(15)18(23)21-14-19(7-3-2-4-8-19)22-9-11-24-12-10-22/h5-6,13H,2-4,7-12,14,20H2,1H3,(H,21,23)
InChIKeyOOTOBVXNLDUOKV-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-amino-2-methyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]benzamide 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

5-amino-2-methyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]benzamide
CID 120643871
5-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzamide
CID 115357784
2,6-dimethyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]quinoline-3-carboxamide
CID 39176079
4-amino-5-chloro-2-methoxy-N-[(1-thiomorpholin-4-ylcycloheptyl)methyl]benzamide
CID 165115746
2,4-dichloro-5-fluoro-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]benzamide
CID 39177580
5-fluoro-2-methyl-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]benzamide
CID 71998961
5-(2-methoxyethylsulfamoyl)-2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 46512676
4-bromo-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-1H-pyrrole-2-carboxamide
CID 36557381
5-amino-N-[[1-[(3,4-dimethylphenyl)carbamoyl]cyclopentyl]methyl]-2-methylbenzamide
CID 120637216
3-methyl-5-phenyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-1,2-oxazole-4-carboxamide
CID 75455121
2-(2-aminoethyl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-1,3-thiazole-4-carboxamide
CID 120643873
5-cyclopropyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]-1,2-oxazole-3-carboxamide
CID 119041699

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]benzamide?
The IUPAC name of 5-amino-2-methyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]benzamide (CID 120646901) is 5-amino-2-methyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]benzamide.
What is the SMILES notation for 5-amino-2-methyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]benzamide?
The canonical SMILES for 5-amino-2-methyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]benzamide is Cc1ccc(N)cc1C(=O)NCC1(N2CCSCC2)CCCCC1.
What is the InChIKey of 5-amino-2-methyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]benzamide?
The InChIKey is OOTOBVXNLDUOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3OS/c1-15-5-6-16(20)13-17(15)18(23)21-14-19(7-3-2-4-8-19)22-9-11-24-12-10-22/h5-6,13H,2-4,7-12,14,20H2,1H3,(H,21,23).
What are the key properties of 5-amino-2-methyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]benzamide?
5-amino-2-methyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]benzamide has a molecular weight of 347.53 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]benzamide is sourced from PubChem (CID 120646901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).