(4-cyclohexylphenyl)-(dimethylamino)methanethiol

C15H23NS — CID 116909382

IUPAC(4-cyclohexylphenyl)-(dimethylamino)methanethiol
SMILESCN(C)C(S)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C15H23NS/c1-16(2)15(17)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h8-12,15,17H,3-7H2,1-2H3
InChIKeyBXPCJJLOWUKHTO-UHFFFAOYSA-N
MW249.42 g/mol
LogP4.22
Rot. Bonds3

About (4-cyclohexylphenyl)-(dimethylamino)methanethiol

(4-cyclohexylphenyl)-(dimethylamino)methanethiol (PubChem CID 116909382) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is (4-cyclohexylphenyl)-(dimethylamino)methanethiol.

Molecular Properties

Compound Name(4-cyclohexylphenyl)-(dimethylamino)methanethiol
PubChem CID116909382
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC Name(4-cyclohexylphenyl)-(dimethylamino)methanethiol
SMILESCN(C)C(S)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C15H23NS/c1-16(2)15(17)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h8-12,15,17H,3-7H2,1-2H3
InChIKeyBXPCJJLOWUKHTO-UHFFFAOYSA-N
XLogP4.22
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-1-(4-cyclohexylphenyl)-N,N-dimethylethanamine
CID 116907408
2-(4-cyclohexylphenyl)-2-(dimethylamino)acetic acid
CID 82090569
1-(4-cyclohexylphenyl)-1-(dimethylamino)propan-2-one
CID 116859922
1-(4-cyclohexylphenyl)-N,N'-dimethylmethanediamine
CID 116954314
N-[1-(4-cyclopentylphenyl)ethyl]-N-methylprop-2-en-1-amine
CID 3066892
[4-(1-methoxyethyl)phenyl]cycloheptane
CID 143858990
1-(4-cyclohexylphenyl)-N-methylethanamine
CID 43484988
4-cyclopentyl-N,N-dimethylaniline
CID 54506338
N-[1-(4-cyclopentylphenyl)ethyl]-N-methylprop-2-yn-1-amine;hydrochloride
CID 3066893
1-(1-chloro-2,2-dimethylpropyl)-4-cyclohexylbenzene
CID 63432566
1-(4-cyclohexylphenyl)-N'-methylmethanediamine
CID 116939287
1-(4-cyclohexylphenyl)-3-methylbutane-1,3-diamine
CID 116933539

Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylphenyl)-(dimethylamino)methanethiol?
The IUPAC name of (4-cyclohexylphenyl)-(dimethylamino)methanethiol (CID 116909382) is (4-cyclohexylphenyl)-(dimethylamino)methanethiol.
What is the SMILES notation for (4-cyclohexylphenyl)-(dimethylamino)methanethiol?
The canonical SMILES for (4-cyclohexylphenyl)-(dimethylamino)methanethiol is CN(C)C(S)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of (4-cyclohexylphenyl)-(dimethylamino)methanethiol?
The InChIKey is BXPCJJLOWUKHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-16(2)15(17)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h8-12,15,17H,3-7H2,1-2H3.
What are the key properties of (4-cyclohexylphenyl)-(dimethylamino)methanethiol?
(4-cyclohexylphenyl)-(dimethylamino)methanethiol has a molecular weight of 249.42 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylphenyl)-(dimethylamino)methanethiol is sourced from PubChem (CID 116909382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).