[1-[[(4-chlorothiophen-2-yl)methylamino]methyl]cyclopentyl]methanol

C12H18ClNOS — CID 115358901

IUPAC[1-[[(4-chlorothiophen-2-yl)methylamino]methyl]cyclopentyl]methanol
SMILESOCC1(CNCc2cc(Cl)cs2)CCCC1
InChIInChI=1S/C12H18ClNOS/c13-10-5-11(16-7-10)6-14-8-12(9-15)3-1-2-4-12/h5,7,14-15H,1-4,6,8-9H2
InChIKeyHJFODXTZPZSGKK-UHFFFAOYSA-N
MW259.80 g/mol
LogP3.04
Rot. Bonds5

About [1-[[(4-chlorothiophen-2-yl)methylamino]methyl]cyclopentyl]methanol

[1-[[(4-chlorothiophen-2-yl)methylamino]methyl]cyclopentyl]methanol (PubChem CID 115358901) has the molecular formula C12H18ClNOS and a molecular weight of 259.80 g/mol. Its IUPAC name is [1-[[(4-chlorothiophen-2-yl)methylamino]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[[(4-chlorothiophen-2-yl)methylamino]methyl]cyclopentyl]methanol
PubChem CID115358901
Molecular FormulaC12H18ClNOS
Molecular Weight259.80 g/mol
Exact Mass259.08
IUPAC Name[1-[[(4-chlorothiophen-2-yl)methylamino]methyl]cyclopentyl]methanol
SMILESOCC1(CNCc2cc(Cl)cs2)CCCC1
InChIInChI=1S/C12H18ClNOS/c13-10-5-11(16-7-10)6-14-8-12(9-15)3-1-2-4-12/h5,7,14-15H,1-4,6,8-9H2
InChIKeyHJFODXTZPZSGKK-UHFFFAOYSA-N
XLogP3.04
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

5-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]thiophene-3-carboxamide
CID 112701033
[1-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]cyclohexyl]methanol
CID 102837247
[1-[[(3-chlorophenyl)methylamino]methyl]cyclopentyl]methanol
CID 113293650
[1-[[(2,6-dichlorophenyl)methylamino]methyl]cyclopentyl]methanol
CID 113293557
[1-[[(5-chlorofuran-2-yl)methylamino]methyl]cyclopentyl]methanol
CID 115358933
[1-[[(2,6-dichlorophenyl)methylamino]methyl]cyclohexyl]methanol
CID 103965941
[1-[[2-(4-bromothiophen-2-yl)ethylamino]methyl]cyclobutyl]methanol
CID 115247094
5-[[(1-ethylcyclopentyl)methylamino]methyl]thiophene-3-carboxamide
CID 103802126
3-chloro-4-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]benzonitrile
CID 102664906
[1-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]cyclopentyl]methanol
CID 115358964
[1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclopentyl]methanol
CID 106817015
[1-[[(4-bromo-3-chlorophenyl)methylamino]methyl]cyclopentyl]methanol
CID 103581870

Frequently Asked Questions

What is the IUPAC name of [1-[[(4-chlorothiophen-2-yl)methylamino]methyl]cyclopentyl]methanol?
The IUPAC name of [1-[[(4-chlorothiophen-2-yl)methylamino]methyl]cyclopentyl]methanol (CID 115358901) is [1-[[(4-chlorothiophen-2-yl)methylamino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[[(4-chlorothiophen-2-yl)methylamino]methyl]cyclopentyl]methanol?
The canonical SMILES for [1-[[(4-chlorothiophen-2-yl)methylamino]methyl]cyclopentyl]methanol is OCC1(CNCc2cc(Cl)cs2)CCCC1.
What is the InChIKey of [1-[[(4-chlorothiophen-2-yl)methylamino]methyl]cyclopentyl]methanol?
The InChIKey is HJFODXTZPZSGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNOS/c13-10-5-11(16-7-10)6-14-8-12(9-15)3-1-2-4-12/h5,7,14-15H,1-4,6,8-9H2.
What are the key properties of [1-[[(4-chlorothiophen-2-yl)methylamino]methyl]cyclopentyl]methanol?
[1-[[(4-chlorothiophen-2-yl)methylamino]methyl]cyclopentyl]methanol has a molecular weight of 259.80 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(4-chlorothiophen-2-yl)methylamino]methyl]cyclopentyl]methanol is sourced from PubChem (CID 115358901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).