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

C18H27N3OS — CID 120643871

IUPAC5-amino-2-methyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]benzamide
SMILESCc1ccc(N)cc1C(=O)NCC1(N2CCSCC2)CCCC1
InChIInChI=1S/C18H27N3OS/c1-14-4-5-15(19)12-16(14)17(22)20-13-18(6-2-3-7-18)21-8-10-23-11-9-21/h4-5,12H,2-3,6-11,13,19H2,1H3,(H,20,22)
InChIKeyKXHLZIUDCLGSHU-UHFFFAOYSA-N
MW333.50 g/mol
LogP2.67
Rot. Bonds4

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

5-amino-2-methyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]benzamide (PubChem CID 120643871) has the molecular formula C18H27N3OS and a molecular weight of 333.50 g/mol. Its IUPAC name is 5-amino-2-methyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]benzamide.

Molecular Properties

Compound Name5-amino-2-methyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]benzamide
PubChem CID120643871
Molecular FormulaC18H27N3OS
Molecular Weight333.50 g/mol
Exact Mass333.19
IUPAC Name5-amino-2-methyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]benzamide
SMILESCc1ccc(N)cc1C(=O)NCC1(N2CCSCC2)CCCC1
InChIInChI=1S/C18H27N3OS/c1-14-4-5-15(19)12-16(14)17(22)20-13-18(6-2-3-7-18)21-8-10-23-11-9-21/h4-5,12H,2-3,6-11,13,19H2,1H3,(H,20,22)
InChIKeyKXHLZIUDCLGSHU-UHFFFAOYSA-N
XLogP2.67
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.50
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-methyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]benzamide
CID 120646901
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
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
5-fluoro-2-methyl-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]benzamide
CID 71998961
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-(2-methoxyethylsulfamoyl)-2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 46512676
4-(4-methylphenyl)-4-oxo-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]butanamide
CID 36554858

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]benzamide?
The IUPAC name of 5-amino-2-methyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]benzamide (CID 120643871) is 5-amino-2-methyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]benzamide.
What is the SMILES notation for 5-amino-2-methyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]benzamide?
The canonical SMILES for 5-amino-2-methyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]benzamide is Cc1ccc(N)cc1C(=O)NCC1(N2CCSCC2)CCCC1.
What is the InChIKey of 5-amino-2-methyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]benzamide?
The InChIKey is KXHLZIUDCLGSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3OS/c1-14-4-5-15(19)12-16(14)17(22)20-13-18(6-2-3-7-18)21-8-10-23-11-9-21/h4-5,12H,2-3,6-11,13,19H2,1H3,(H,20,22).
What are the key properties of 5-amino-2-methyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]benzamide?
5-amino-2-methyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]benzamide has a molecular weight of 333.50 g/mol, XLogP of 2.67, 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-ylcyclopentyl)methyl]benzamide is sourced from PubChem (CID 120643871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).