N-(3-methylcyclopentyl)-4-(methylsulfanylmethyl)benzamide

C15H21NOS — CID 114550091

IUPACN-(3-methylcyclopentyl)-4-(methylsulfanylmethyl)benzamide
SMILESCSCc1ccc(C(=O)NC2CCC(C)C2)cc1
InChIInChI=1S/C15H21NOS/c1-11-3-8-14(9-11)16-15(17)13-6-4-12(5-7-13)10-18-2/h4-7,11,14H,3,8-10H2,1-2H3,(H,16,17)
InChIKeySQDBUKDXFKCBQH-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.47
Rot. Bonds4

About N-(3-methylcyclopentyl)-4-(methylsulfanylmethyl)benzamide

N-(3-methylcyclopentyl)-4-(methylsulfanylmethyl)benzamide (PubChem CID 114550091) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is N-(3-methylcyclopentyl)-4-(methylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-(3-methylcyclopentyl)-4-(methylsulfanylmethyl)benzamide
PubChem CID114550091
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC NameN-(3-methylcyclopentyl)-4-(methylsulfanylmethyl)benzamide
SMILESCSCc1ccc(C(=O)NC2CCC(C)C2)cc1
InChIInChI=1S/C15H21NOS/c1-11-3-8-14(9-11)16-15(17)13-6-4-12(5-7-13)10-18-2/h4-7,11,14H,3,8-10H2,1-2H3,(H,16,17)
InChIKeySQDBUKDXFKCBQH-UHFFFAOYSA-N
XLogP3.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(carbamoylamino)methyl]-N-(3-methylcyclopentyl)benzamide
CID 114549437
N-(3-methylcyclopentyl)-4-(propan-2-yloxymethyl)benzamide
CID 114549766
N-(3-methylcyclopentyl)-4-(propylamino)benzamide
CID 114540645
4-(chloromethyl)-N-(3-methylcyclohexyl)benzamide
CID 43317913
N-(3-methylcyclopentyl)-4-(methylsulfanylmethyl)aniline
CID 115744190
4-(chloromethyl)-N-(4-methylcyclohexyl)benzamide
CID 43333286
4-(acetamidomethyl)-N-(4-methylcyclohexyl)benzamide
CID 17431349
N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-(methylsulfanylmethyl)benzamide
CID 114630906
N-(3-methylcyclohexyl)-4-[4-[(3-methylcyclohexyl)carbamoyl]phenyl]benzamide
CID 66710031
4-(aminomethyl)-N-(3-methylsulfanylcyclopentyl)benzamide
CID 103797799
cis-(1R,3S)-3-[[4-(phenylsulfanylmethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120678421
4-methyl-N-[(1R,3R)-3-methylcyclohexyl]benzamide
CID 41098153

Frequently Asked Questions

What is the IUPAC name of N-(3-methylcyclopentyl)-4-(methylsulfanylmethyl)benzamide?
The IUPAC name of N-(3-methylcyclopentyl)-4-(methylsulfanylmethyl)benzamide (CID 114550091) is N-(3-methylcyclopentyl)-4-(methylsulfanylmethyl)benzamide.
What is the SMILES notation for N-(3-methylcyclopentyl)-4-(methylsulfanylmethyl)benzamide?
The canonical SMILES for N-(3-methylcyclopentyl)-4-(methylsulfanylmethyl)benzamide is CSCc1ccc(C(=O)NC2CCC(C)C2)cc1.
What is the InChIKey of N-(3-methylcyclopentyl)-4-(methylsulfanylmethyl)benzamide?
The InChIKey is SQDBUKDXFKCBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-11-3-8-14(9-11)16-15(17)13-6-4-12(5-7-13)10-18-2/h4-7,11,14H,3,8-10H2,1-2H3,(H,16,17).
What are the key properties of N-(3-methylcyclopentyl)-4-(methylsulfanylmethyl)benzamide?
N-(3-methylcyclopentyl)-4-(methylsulfanylmethyl)benzamide has a molecular weight of 263.41 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylcyclopentyl)-4-(methylsulfanylmethyl)benzamide is sourced from PubChem (CID 114550091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).