2-methylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]cyclopentan-1-amine

C12H19NS2 — CID 103701176

IUPAC2-methylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]cyclopentan-1-amine
SMILESCSC1CCCC1NCc1ccc(C)s1
InChIInChI=1S/C12H19NS2/c1-9-6-7-10(15-9)8-13-11-4-3-5-12(11)14-2/h6-7,11-13H,3-5,8H2,1-2H3
InChIKeyVKXVBBPWCGXFDD-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.43
Rot. Bonds4

About 2-methylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]cyclopentan-1-amine

2-methylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]cyclopentan-1-amine (PubChem CID 103701176) has the molecular formula C12H19NS2 and a molecular weight of 241.42 g/mol. Its IUPAC name is 2-methylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-methylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]cyclopentan-1-amine
PubChem CID103701176
Molecular FormulaC12H19NS2
Molecular Weight241.42 g/mol
Exact Mass241.10
IUPAC Name2-methylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]cyclopentan-1-amine
SMILESCSC1CCCC1NCc1ccc(C)s1
InChIInChI=1S/C12H19NS2/c1-9-6-7-10(15-9)8-13-11-4-3-5-12(11)14-2/h6-7,11-13H,3-5,8H2,1-2H3
InChIKeyVKXVBBPWCGXFDD-UHFFFAOYSA-N
XLogP3.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]cyclopentan-1-amine with MolForge

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Related Compounds

trans-(1S,2S)-2-[(5-methylthiophen-2-yl)methylamino]cyclohexan-1-ol
CID 94339567
trans-(1R,2R)-2-[(5-methylthiophen-2-yl)methylamino]cyclohexan-1-ol
CID 94339568
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-methylsulfanylcyclohexan-1-amine
CID 114122323
N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine;hydrochloride
CID 17294982
N-[(3,4-dimethylphenyl)methyl]-2-methylsulfanylcyclopentan-1-amine
CID 103701214
2-methylsulfanyl-N-[(4-methylsulfanylphenyl)methyl]cyclopentan-1-amine
CID 113243458
N-[(5-methylthiophen-2-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120915744
N-[(2,5-dimethylphenyl)methyl]-2-methylsulfanylcyclopentan-1-amine
CID 103701269
tert-butyl N-[2-[(5-methylthiophen-2-yl)methylamino]cyclopentyl]carbamate
CID 103917367
4-methyl-N-[(5-methylthiophen-2-yl)methyl]cycloheptan-1-amine
CID 65080142
2-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentan-1-amine
CID 103701163
4-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine
CID 29036169

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]cyclopentan-1-amine?
The IUPAC name of 2-methylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]cyclopentan-1-amine (CID 103701176) is 2-methylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 2-methylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for 2-methylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]cyclopentan-1-amine is CSC1CCCC1NCc1ccc(C)s1.
What is the InChIKey of 2-methylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]cyclopentan-1-amine?
The InChIKey is VKXVBBPWCGXFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS2/c1-9-6-7-10(15-9)8-13-11-4-3-5-12(11)14-2/h6-7,11-13H,3-5,8H2,1-2H3.
What are the key properties of 2-methylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]cyclopentan-1-amine?
2-methylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]cyclopentan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 103701176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).