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

C14H21NS — CID 115744190

IUPACN-(3-methylcyclopentyl)-4-(methylsulfanylmethyl)aniline
SMILESCSCc1ccc(NC2CCC(C)C2)cc1
InChIInChI=1S/C14H21NS/c1-11-3-6-14(9-11)15-13-7-4-12(5-8-13)10-16-2/h4-5,7-8,11,14-15H,3,6,9-10H2,1-2H3
InChIKeyDQFBQINSLXCUKS-UHFFFAOYSA-N
MW235.40 g/mol
LogP4.15
Rot. Bonds4

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

N-(3-methylcyclopentyl)-4-(methylsulfanylmethyl)aniline (PubChem CID 115744190) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is N-(3-methylcyclopentyl)-4-(methylsulfanylmethyl)aniline.

Molecular Properties

Compound NameN-(3-methylcyclopentyl)-4-(methylsulfanylmethyl)aniline
PubChem CID115744190
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC NameN-(3-methylcyclopentyl)-4-(methylsulfanylmethyl)aniline
SMILESCSCc1ccc(NC2CCC(C)C2)cc1
InChIInChI=1S/C14H21NS/c1-11-3-6-14(9-11)15-13-7-4-12(5-8-13)10-16-2/h4-5,7-8,11,14-15H,3,6,9-10H2,1-2H3
InChIKeyDQFBQINSLXCUKS-UHFFFAOYSA-N
XLogP4.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylcyclopentyl)-4-(methylsulfanylmethyl)benzamide
CID 114550091
4-bromo-N-(3-methylcyclopentyl)aniline
CID 64501647
N-[4-(methylsulfanylmethyl)phenyl]oxolan-3-amine
CID 115744184
N-(4-methylcyclohexyl)-4-[[4-[(4-methylcyclohexyl)amino]phenyl]methyl]aniline
CID 135199664
4-butyl-N-(3-methylcyclohexyl)aniline
CID 43103232
N-(3-methylcyclopentyl)-4-propan-2-yloxyaniline
CID 64501251
4-cyclopentyloxy-N-(3-methylcyclopentyl)aniline
CID 64500639
N-cyclopropyl-4-[(3-methylcyclopentyl)amino]benzenesulfonamide
CID 114547826
N-[(1S,3R)-3-methylcyclopentyl]-3-methylsulfanylaniline
CID 95376135
1-methyl-3-[4-[(3-methylcyclopentyl)amino]phenyl]urea
CID 64501930
6-methyl-N-[(1R,3S)-3-methylcyclopentyl]pyridin-3-amine
CID 97357973
N-[4-[[(3-methylcyclopentyl)amino]methyl]phenyl]acetamide
CID 115651788

Frequently Asked Questions

What is the IUPAC name of N-(3-methylcyclopentyl)-4-(methylsulfanylmethyl)aniline?
The IUPAC name of N-(3-methylcyclopentyl)-4-(methylsulfanylmethyl)aniline (CID 115744190) is N-(3-methylcyclopentyl)-4-(methylsulfanylmethyl)aniline.
What is the SMILES notation for N-(3-methylcyclopentyl)-4-(methylsulfanylmethyl)aniline?
The canonical SMILES for N-(3-methylcyclopentyl)-4-(methylsulfanylmethyl)aniline is CSCc1ccc(NC2CCC(C)C2)cc1.
What is the InChIKey of N-(3-methylcyclopentyl)-4-(methylsulfanylmethyl)aniline?
The InChIKey is DQFBQINSLXCUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c1-11-3-6-14(9-11)15-13-7-4-12(5-8-13)10-16-2/h4-5,7-8,11,14-15H,3,6,9-10H2,1-2H3.
What are the key properties of N-(3-methylcyclopentyl)-4-(methylsulfanylmethyl)aniline?
N-(3-methylcyclopentyl)-4-(methylsulfanylmethyl)aniline has a molecular weight of 235.40 g/mol, XLogP of 4.15, 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)aniline is sourced from PubChem (CID 115744190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).