[1-[(2,5-dimethylthiophen-3-yl)methylamino]cyclohexyl]methanol

C14H23NOS — CID 62521865

IUPAC[1-[(2,5-dimethylthiophen-3-yl)methylamino]cyclohexyl]methanol
SMILESCc1cc(CNC2(CO)CCCCC2)c(C)s1
InChIInChI=1S/C14H23NOS/c1-11-8-13(12(2)17-11)9-15-14(10-16)6-4-3-5-7-14/h8,15-16H,3-7,9-10H2,1-2H3
InChIKeyZWVIROPQWHPVNS-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.15
Rot. Bonds4

About [1-[(2,5-dimethylthiophen-3-yl)methylamino]cyclohexyl]methanol

[1-[(2,5-dimethylthiophen-3-yl)methylamino]cyclohexyl]methanol (PubChem CID 62521865) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is [1-[(2,5-dimethylthiophen-3-yl)methylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(2,5-dimethylthiophen-3-yl)methylamino]cyclohexyl]methanol
PubChem CID62521865
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name[1-[(2,5-dimethylthiophen-3-yl)methylamino]cyclohexyl]methanol
SMILESCc1cc(CNC2(CO)CCCCC2)c(C)s1
InChIInChI=1S/C14H23NOS/c1-11-8-13(12(2)17-11)9-15-14(10-16)6-4-3-5-7-14/h8,15-16H,3-7,9-10H2,1-2H3
InChIKeyZWVIROPQWHPVNS-UHFFFAOYSA-N
XLogP3.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[(2,5-dimethylthiophen-3-yl)methylamino]cyclohexyl]methanol?
The IUPAC name of [1-[(2,5-dimethylthiophen-3-yl)methylamino]cyclohexyl]methanol (CID 62521865) is [1-[(2,5-dimethylthiophen-3-yl)methylamino]cyclohexyl]methanol.
What is the SMILES notation for [1-[(2,5-dimethylthiophen-3-yl)methylamino]cyclohexyl]methanol?
The canonical SMILES for [1-[(2,5-dimethylthiophen-3-yl)methylamino]cyclohexyl]methanol is Cc1cc(CNC2(CO)CCCCC2)c(C)s1.
What is the InChIKey of [1-[(2,5-dimethylthiophen-3-yl)methylamino]cyclohexyl]methanol?
The InChIKey is ZWVIROPQWHPVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-11-8-13(12(2)17-11)9-15-14(10-16)6-4-3-5-7-14/h8,15-16H,3-7,9-10H2,1-2H3.
What are the key properties of [1-[(2,5-dimethylthiophen-3-yl)methylamino]cyclohexyl]methanol?
[1-[(2,5-dimethylthiophen-3-yl)methylamino]cyclohexyl]methanol has a molecular weight of 253.41 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,5-dimethylthiophen-3-yl)methylamino]cyclohexyl]methanol is sourced from PubChem (CID 62521865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).