(3-chlorothiophen-2-yl)-[1-(dimethylamino)-4-methylcyclohexyl]methanol

C14H22ClNOS — CID 107359569

IUPAC(3-chlorothiophen-2-yl)-[1-(dimethylamino)-4-methylcyclohexyl]methanol
SMILESCC1CCC(C(O)c2sccc2Cl)(N(C)C)CC1
InChIInChI=1S/C14H22ClNOS/c1-10-4-7-14(8-5-10,16(2)3)13(17)12-11(15)6-9-18-12/h6,9-10,13,17H,4-5,7-8H2,1-3H3
InChIKeyRAUYKYYHLWMVQF-UHFFFAOYSA-N
MW287.86 g/mol
LogP3.95
Rot. Bonds3

About (3-chlorothiophen-2-yl)-[1-(dimethylamino)-4-methylcyclohexyl]methanol

(3-chlorothiophen-2-yl)-[1-(dimethylamino)-4-methylcyclohexyl]methanol (PubChem CID 107359569) has the molecular formula C14H22ClNOS and a molecular weight of 287.86 g/mol. Its IUPAC name is (3-chlorothiophen-2-yl)-[1-(dimethylamino)-4-methylcyclohexyl]methanol.

Molecular Properties

Compound Name(3-chlorothiophen-2-yl)-[1-(dimethylamino)-4-methylcyclohexyl]methanol
PubChem CID107359569
Molecular FormulaC14H22ClNOS
Molecular Weight287.86 g/mol
Exact Mass287.11
IUPAC Name(3-chlorothiophen-2-yl)-[1-(dimethylamino)-4-methylcyclohexyl]methanol
SMILESCC1CCC(C(O)c2sccc2Cl)(N(C)C)CC1
InChIInChI=1S/C14H22ClNOS/c1-10-4-7-14(8-5-10,16(2)3)13(17)12-11(15)6-9-18-12/h6,9-10,13,17H,4-5,7-8H2,1-3H3
InChIKeyRAUYKYYHLWMVQF-UHFFFAOYSA-N
XLogP3.95
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.86
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[amino-(3-chlorothiophen-2-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 107359933
(3-chlorothiophen-2-yl)-(4,4-dimethylcyclohexyl)methanol
CID 107359543
1-(3-chlorothiophen-2-yl)-2-cyclopropylpropan-1-ol
CID 83148451
(4-chloro-1-propan-2-ylpyrazol-5-yl)-[1-(dimethylamino)-4-methylcyclohexyl]methanol
CID 114644578
[1-(aminomethyl)cyclopropyl]-(3-chlorothiophen-2-yl)methanol
CID 127013591
(3-chlorothiophen-2-yl)-(1-methoxycycloheptyl)methanol
CID 107359647
[1-(dimethylamino)-4-methylcyclohexyl]-(furan-3-yl)methanol
CID 79074647
[1-(dimethylamino)-4-methylcyclohexyl]-(2-propylpyrazol-3-yl)methanol
CID 79075090
3-chloro-2-(1-chloro-2-cyclopropylpropyl)thiophene
CID 83148975
2-(5-chlorothiophen-2-yl)-1-[1-(dimethylamino)-4-methylcyclohexyl]ethanol
CID 79074352
[1-(dimethylamino)-4-methylcyclohexyl]-pyridin-3-ylmethanol
CID 79074201
2-(2-chloro-4-methylphenyl)-1-[1-(dimethylamino)-4-methylcyclohexyl]ethanol
CID 106867449

Frequently Asked Questions

What is the IUPAC name of (3-chlorothiophen-2-yl)-[1-(dimethylamino)-4-methylcyclohexyl]methanol?
The IUPAC name of (3-chlorothiophen-2-yl)-[1-(dimethylamino)-4-methylcyclohexyl]methanol (CID 107359569) is (3-chlorothiophen-2-yl)-[1-(dimethylamino)-4-methylcyclohexyl]methanol.
What is the SMILES notation for (3-chlorothiophen-2-yl)-[1-(dimethylamino)-4-methylcyclohexyl]methanol?
The canonical SMILES for (3-chlorothiophen-2-yl)-[1-(dimethylamino)-4-methylcyclohexyl]methanol is CC1CCC(C(O)c2sccc2Cl)(N(C)C)CC1.
What is the InChIKey of (3-chlorothiophen-2-yl)-[1-(dimethylamino)-4-methylcyclohexyl]methanol?
The InChIKey is RAUYKYYHLWMVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNOS/c1-10-4-7-14(8-5-10,16(2)3)13(17)12-11(15)6-9-18-12/h6,9-10,13,17H,4-5,7-8H2,1-3H3.
What are the key properties of (3-chlorothiophen-2-yl)-[1-(dimethylamino)-4-methylcyclohexyl]methanol?
(3-chlorothiophen-2-yl)-[1-(dimethylamino)-4-methylcyclohexyl]methanol has a molecular weight of 287.86 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorothiophen-2-yl)-[1-(dimethylamino)-4-methylcyclohexyl]methanol is sourced from PubChem (CID 107359569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).