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

C11H16ClNOS — CID 107166449

IUPAC[2-[(4-chlorothiophen-2-yl)methylamino]cyclopentyl]methanol
SMILESOCC1CCCC1NCc1cc(Cl)cs1
InChIInChI=1S/C11H16ClNOS/c12-9-4-10(15-7-9)5-13-11-3-1-2-8(11)6-14/h4,7-8,11,13-14H,1-3,5-6H2
InChIKeyORHVSBXRPHMDKJ-UHFFFAOYSA-N
MW245.77 g/mol
LogP2.65
Rot. Bonds4

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

[2-[(4-chlorothiophen-2-yl)methylamino]cyclopentyl]methanol (PubChem CID 107166449) has the molecular formula C11H16ClNOS and a molecular weight of 245.77 g/mol. Its IUPAC name is [2-[(4-chlorothiophen-2-yl)methylamino]cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[(4-chlorothiophen-2-yl)methylamino]cyclopentyl]methanol
PubChem CID107166449
Molecular FormulaC11H16ClNOS
Molecular Weight245.77 g/mol
Exact Mass245.06
IUPAC Name[2-[(4-chlorothiophen-2-yl)methylamino]cyclopentyl]methanol
SMILESOCC1CCCC1NCc1cc(Cl)cs1
InChIInChI=1S/C11H16ClNOS/c12-9-4-10(15-7-9)5-13-11-3-1-2-8(11)6-14/h4,7-8,11,13-14H,1-3,5-6H2
InChIKeyORHVSBXRPHMDKJ-UHFFFAOYSA-N
XLogP2.65
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.77
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(4-chlorothiophen-2-yl)methylamino]cyclohexyl]methanol
CID 107166401
N-[(4-chlorothiophen-2-yl)methyl]-2-ethylcyclohexan-1-amine
CID 79419374
cis-(1R,2S)-N-[(4-chlorothiophen-2-yl)methyl]-2-fluorocyclopentan-1-amine
CID 130831511
[2-[(4-bromothiophen-2-yl)methylamino]cyclohexyl]methanol
CID 111440221
5-[[[(1R,2R)-2-ethylcyclopentyl]amino]methyl]thiophene-3-carboxamide
CID 97236076
5-[[(2-hydroxycyclopentyl)amino]methyl]thiophene-3-carboxamide
CID 115735693
[2-[(3,5-difluorophenyl)methylamino]cyclopentyl]methanol
CID 113338463
4-N-[(4-chlorothiophen-2-yl)methyl]cyclohexane-1,4-diamine
CID 79420437
[2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]cyclopentyl]methanol
CID 115684440
[2-[(6-chloro-1H-indol-3-yl)methylamino]cyclopentyl]methanol
CID 106359414
[2-[[5-(hydroxymethyl)furan-2-yl]methylamino]cyclopentyl]methanol
CID 115655020
N-[(4-chlorothiophen-2-yl)methyl]-3-methylsulfanylcyclohexan-1-amine
CID 107166367

Frequently Asked Questions

What is the IUPAC name of [2-[(4-chlorothiophen-2-yl)methylamino]cyclopentyl]methanol?
The IUPAC name of [2-[(4-chlorothiophen-2-yl)methylamino]cyclopentyl]methanol (CID 107166449) is [2-[(4-chlorothiophen-2-yl)methylamino]cyclopentyl]methanol.
What is the SMILES notation for [2-[(4-chlorothiophen-2-yl)methylamino]cyclopentyl]methanol?
The canonical SMILES for [2-[(4-chlorothiophen-2-yl)methylamino]cyclopentyl]methanol is OCC1CCCC1NCc1cc(Cl)cs1.
What is the InChIKey of [2-[(4-chlorothiophen-2-yl)methylamino]cyclopentyl]methanol?
The InChIKey is ORHVSBXRPHMDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNOS/c12-9-4-10(15-7-9)5-13-11-3-1-2-8(11)6-14/h4,7-8,11,13-14H,1-3,5-6H2.
What are the key properties of [2-[(4-chlorothiophen-2-yl)methylamino]cyclopentyl]methanol?
[2-[(4-chlorothiophen-2-yl)methylamino]cyclopentyl]methanol has a molecular weight of 245.77 g/mol, XLogP of 2.65, 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]cyclopentyl]methanol is sourced from PubChem (CID 107166449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).