[1-(aminomethyl)cyclopropyl]-(3-chlorothiophen-2-yl)methanol

C9H12ClNOS — CID 127013591

IUPAC[1-(aminomethyl)cyclopropyl]-(3-chlorothiophen-2-yl)methanol
SMILESNCC1(C(O)c2sccc2Cl)CC1
InChIInChI=1S/C9H12ClNOS/c10-6-1-4-13-7(6)8(12)9(5-11)2-3-9/h1,4,8,12H,2-3,5,11H2
InChIKeyXONZSJUCRYRXNT-UHFFFAOYSA-N
MW217.72 g/mol
LogP2.17
Rot. Bonds3

About [1-(aminomethyl)cyclopropyl]-(3-chlorothiophen-2-yl)methanol

[1-(aminomethyl)cyclopropyl]-(3-chlorothiophen-2-yl)methanol (PubChem CID 127013591) has the molecular formula C9H12ClNOS and a molecular weight of 217.72 g/mol. Its IUPAC name is [1-(aminomethyl)cyclopropyl]-(3-chlorothiophen-2-yl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)cyclopropyl]-(3-chlorothiophen-2-yl)methanol
PubChem CID127013591
Molecular FormulaC9H12ClNOS
Molecular Weight217.72 g/mol
Exact Mass217.03
IUPAC Name[1-(aminomethyl)cyclopropyl]-(3-chlorothiophen-2-yl)methanol
SMILESNCC1(C(O)c2sccc2Cl)CC1
InChIInChI=1S/C9H12ClNOS/c10-6-1-4-13-7(6)8(12)9(5-11)2-3-9/h1,4,8,12H,2-3,5,11H2
InChIKeyXONZSJUCRYRXNT-UHFFFAOYSA-N
XLogP2.17
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.72
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(3-chlorothiophen-2-yl)propan-1-ol
CID 80641547
(3-chlorothiophen-2-yl)-(1-phenylcyclopentyl)methanol
CID 107359518
bis(3-chlorothiophen-2-yl)methanol
CID 80642135
(3-chlorothiophen-2-yl)-(1-methoxycycloheptyl)methanol
CID 107359647
[3-(aminomethyl)oxolan-3-yl]-(3-bromothiophen-2-yl)methanol
CID 115381508
(3-chlorothiophen-2-yl)-[1-(dimethylamino)-4-methylcyclohexyl]methanol
CID 107359569
[1-(aminomethyl)-3-methylcyclohexyl]-(3-methylthiophen-2-yl)methanol
CID 79137952
[1-(aminomethyl)-4,4-dimethylcyclohexyl]-thiophen-3-ylmethanol
CID 79135088
2-(aminomethyl)-1-(3-chlorothiophen-2-yl)-3-methylbutan-1-ol
CID 80642659
(3-chlorothiophen-2-yl)-(4,4-dimethylcyclohexyl)methanol
CID 107359543
[1-(aminomethyl)cyclopentyl]-(5-chlorothiophen-2-yl)methanol
CID 79137693
[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(4-chlorophenyl)methanol
CID 79134995

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclopropyl]-(3-chlorothiophen-2-yl)methanol?
The IUPAC name of [1-(aminomethyl)cyclopropyl]-(3-chlorothiophen-2-yl)methanol (CID 127013591) is [1-(aminomethyl)cyclopropyl]-(3-chlorothiophen-2-yl)methanol.
What is the SMILES notation for [1-(aminomethyl)cyclopropyl]-(3-chlorothiophen-2-yl)methanol?
The canonical SMILES for [1-(aminomethyl)cyclopropyl]-(3-chlorothiophen-2-yl)methanol is NCC1(C(O)c2sccc2Cl)CC1.
What is the InChIKey of [1-(aminomethyl)cyclopropyl]-(3-chlorothiophen-2-yl)methanol?
The InChIKey is XONZSJUCRYRXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNOS/c10-6-1-4-13-7(6)8(12)9(5-11)2-3-9/h1,4,8,12H,2-3,5,11H2.
What are the key properties of [1-(aminomethyl)cyclopropyl]-(3-chlorothiophen-2-yl)methanol?
[1-(aminomethyl)cyclopropyl]-(3-chlorothiophen-2-yl)methanol has a molecular weight of 217.72 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclopropyl]-(3-chlorothiophen-2-yl)methanol is sourced from PubChem (CID 127013591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).