N-[(2-methylsulfanylphenyl)-thiophen-2-ylmethyl]cyclohexanamine

C18H23NS2 — CID 139791714

IUPACN-[(2-methylsulfanylphenyl)-thiophen-2-ylmethyl]cyclohexanamine
SMILESCSc1ccccc1C(NC1CCCCC1)c1cccs1
InChIInChI=1S/C18H23NS2/c1-20-16-11-6-5-10-15(16)18(17-12-7-13-21-17)19-14-8-3-2-4-9-14/h5-7,10-14,18-19H,2-4,8-9H2,1H3
InChIKeyABYUKAWWBZKCEQ-UHFFFAOYSA-N
MW317.52 g/mol
LogP5.48
Rot. Bonds5

About N-[(2-methylsulfanylphenyl)-thiophen-2-ylmethyl]cyclohexanamine

N-[(2-methylsulfanylphenyl)-thiophen-2-ylmethyl]cyclohexanamine (PubChem CID 139791714) has the molecular formula C18H23NS2 and a molecular weight of 317.52 g/mol. Its IUPAC name is N-[(2-methylsulfanylphenyl)-thiophen-2-ylmethyl]cyclohexanamine.

Molecular Properties

Compound NameN-[(2-methylsulfanylphenyl)-thiophen-2-ylmethyl]cyclohexanamine
PubChem CID139791714
Molecular FormulaC18H23NS2
Molecular Weight317.52 g/mol
Exact Mass317.13
IUPAC NameN-[(2-methylsulfanylphenyl)-thiophen-2-ylmethyl]cyclohexanamine
SMILESCSc1ccccc1C(NC1CCCCC1)c1cccs1
InChIInChI=1S/C18H23NS2/c1-20-16-11-6-5-10-15(16)18(17-12-7-13-21-17)19-14-8-3-2-4-9-14/h5-7,10-14,18-19H,2-4,8-9H2,1H3
InChIKeyABYUKAWWBZKCEQ-UHFFFAOYSA-N
XLogP5.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.52
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 1817785
(1-Benzo[b]thiophen-2-yl-cyclohexyl)-butyl-amine
CID 618552
4-phenyl-4H,5H,6H,7H-thieno(3,2-c)pyridine
CID 6485298
(1-Benzo[b]thiophen-2-yl-cyclohexyl)-cyclopropylmethyl-amine
CID 10424083
Tifacogin
CID 961320
2-phenyl-2-{4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}ethan-1-amine
CID 20115426
Benzyl(1-(thiophen-2-yl)propan-2-yl)amine
CID 4868418
N-methyl-1-(2-thiophen-2-ylphenyl)methanamine
CID 7060565
N-[(3-methylthiophen-2-yl)methyl]cyclohexanamine
CID 4721499
N-[(3-methylthiophen-2-yl)methyl]adamantan-1-amine;hydrochloride
CID 16192672
Phenethyl-thiophen-2-ylmethyl-amine hydrochloride
CID 24746854
(1-Benzo[b]thiophen-2-yl-cyclohexyl)-dibutyl-amine
CID 439053

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylsulfanylphenyl)-thiophen-2-ylmethyl]cyclohexanamine?
The IUPAC name of N-[(2-methylsulfanylphenyl)-thiophen-2-ylmethyl]cyclohexanamine (CID 139791714) is N-[(2-methylsulfanylphenyl)-thiophen-2-ylmethyl]cyclohexanamine.
What is the SMILES notation for N-[(2-methylsulfanylphenyl)-thiophen-2-ylmethyl]cyclohexanamine?
The canonical SMILES for N-[(2-methylsulfanylphenyl)-thiophen-2-ylmethyl]cyclohexanamine is CSc1ccccc1C(NC1CCCCC1)c1cccs1.
What is the InChIKey of N-[(2-methylsulfanylphenyl)-thiophen-2-ylmethyl]cyclohexanamine?
The InChIKey is ABYUKAWWBZKCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NS2/c1-20-16-11-6-5-10-15(16)18(17-12-7-13-21-17)19-14-8-3-2-4-9-14/h5-7,10-14,18-19H,2-4,8-9H2,1H3.
What are the key properties of N-[(2-methylsulfanylphenyl)-thiophen-2-ylmethyl]cyclohexanamine?
N-[(2-methylsulfanylphenyl)-thiophen-2-ylmethyl]cyclohexanamine has a molecular weight of 317.52 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylsulfanylphenyl)-thiophen-2-ylmethyl]cyclohexanamine is sourced from PubChem (CID 139791714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).