[2-[(4-chlorothiophen-2-yl)methylamino]cyclohexyl]methanol

C12H18ClNOS — CID 107166401

IUPAC[2-[(4-chlorothiophen-2-yl)methylamino]cyclohexyl]methanol
SMILESOCC1CCCCC1NCc1cc(Cl)cs1
InChIInChI=1S/C12H18ClNOS/c13-10-5-11(16-8-10)6-14-12-4-2-1-3-9(12)7-15/h5,8-9,12,14-15H,1-4,6-7H2
InChIKeyODHRDOVFNMAQOP-UHFFFAOYSA-N
MW259.80 g/mol
LogP3.04
Rot. Bonds4

About [2-[(4-chlorothiophen-2-yl)methylamino]cyclohexyl]methanol

[2-[(4-chlorothiophen-2-yl)methylamino]cyclohexyl]methanol (PubChem CID 107166401) has the molecular formula C12H18ClNOS and a molecular weight of 259.80 g/mol. Its IUPAC name is [2-[(4-chlorothiophen-2-yl)methylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[(4-chlorothiophen-2-yl)methylamino]cyclohexyl]methanol
PubChem CID107166401
Molecular FormulaC12H18ClNOS
Molecular Weight259.80 g/mol
Exact Mass259.08
IUPAC Name[2-[(4-chlorothiophen-2-yl)methylamino]cyclohexyl]methanol
SMILESOCC1CCCCC1NCc1cc(Cl)cs1
InChIInChI=1S/C12H18ClNOS/c13-10-5-11(16-8-10)6-14-12-4-2-1-3-9(12)7-15/h5,8-9,12,14-15H,1-4,6-7H2
InChIKeyODHRDOVFNMAQOP-UHFFFAOYSA-N
XLogP3.04
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.80
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(4-chlorothiophen-2-yl)methylamino]cyclopentyl]methanol
CID 107166449
N-[(4-chlorothiophen-2-yl)methyl]-2-ethylcyclohexan-1-amine
CID 79419374
[2-[(4-bromothiophen-2-yl)methylamino]cyclohexyl]methanol
CID 111440221
cis-(1R,2S)-N-[(4-chlorothiophen-2-yl)methyl]-2-fluorocyclopentan-1-amine
CID 130831511
5-[[(2-ethylcyclohexyl)amino]methyl]thiophene-3-carbonitrile
CID 79545724
5-[[[(1R,2R)-2-ethylcyclopentyl]amino]methyl]thiophene-3-carboxamide
CID 97236076
4-N-[(4-chlorothiophen-2-yl)methyl]cyclohexane-1,4-diamine
CID 79420437
[2-[[5-(hydroxymethyl)furan-2-yl]methylamino]cyclohexyl]methanol
CID 103699678
[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]cycloheptyl]methanol
CID 75457226
[(1R,2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]cycloheptyl]methanol
CID 97307380
5-[[(2-hydroxycyclopentyl)amino]methyl]thiophene-3-carboxamide
CID 115735693
5-[[(2-hydroxycycloheptyl)amino]methyl]thiophene-3-carbonitrile
CID 113394650

Frequently Asked Questions

What is the IUPAC name of [2-[(4-chlorothiophen-2-yl)methylamino]cyclohexyl]methanol?
The IUPAC name of [2-[(4-chlorothiophen-2-yl)methylamino]cyclohexyl]methanol (CID 107166401) is [2-[(4-chlorothiophen-2-yl)methylamino]cyclohexyl]methanol.
What is the SMILES notation for [2-[(4-chlorothiophen-2-yl)methylamino]cyclohexyl]methanol?
The canonical SMILES for [2-[(4-chlorothiophen-2-yl)methylamino]cyclohexyl]methanol is OCC1CCCCC1NCc1cc(Cl)cs1.
What is the InChIKey of [2-[(4-chlorothiophen-2-yl)methylamino]cyclohexyl]methanol?
The InChIKey is ODHRDOVFNMAQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNOS/c13-10-5-11(16-8-10)6-14-12-4-2-1-3-9(12)7-15/h5,8-9,12,14-15H,1-4,6-7H2.
What are the key properties of [2-[(4-chlorothiophen-2-yl)methylamino]cyclohexyl]methanol?
[2-[(4-chlorothiophen-2-yl)methylamino]cyclohexyl]methanol has a molecular weight of 259.80 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-chlorothiophen-2-yl)methylamino]cyclohexyl]methanol is sourced from PubChem (CID 107166401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).