[1-(aminomethyl)cyclopentyl]-(5-chlorothiophen-2-yl)methanol

C11H16ClNOS — CID 79137693

IUPAC[1-(aminomethyl)cyclopentyl]-(5-chlorothiophen-2-yl)methanol
SMILESNCC1(C(O)c2ccc(Cl)s2)CCCC1
InChIInChI=1S/C11H16ClNOS/c12-9-4-3-8(15-9)10(14)11(7-13)5-1-2-6-11/h3-4,10,14H,1-2,5-7,13H2
InChIKeyPWQVXNPOXRCBQI-UHFFFAOYSA-N
MW245.77 g/mol
LogP2.95
Rot. Bonds3

About [1-(aminomethyl)cyclopentyl]-(5-chlorothiophen-2-yl)methanol

[1-(aminomethyl)cyclopentyl]-(5-chlorothiophen-2-yl)methanol (PubChem CID 79137693) has the molecular formula C11H16ClNOS and a molecular weight of 245.77 g/mol. Its IUPAC name is [1-(aminomethyl)cyclopentyl]-(5-chlorothiophen-2-yl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)cyclopentyl]-(5-chlorothiophen-2-yl)methanol
PubChem CID79137693
Molecular FormulaC11H16ClNOS
Molecular Weight245.77 g/mol
Exact Mass245.06
IUPAC Name[1-(aminomethyl)cyclopentyl]-(5-chlorothiophen-2-yl)methanol
SMILESNCC1(C(O)c2ccc(Cl)s2)CCCC1
InChIInChI=1S/C11H16ClNOS/c12-9-4-3-8(15-9)10(14)11(7-13)5-1-2-6-11/h3-4,10,14H,1-2,5-7,13H2
InChIKeyPWQVXNPOXRCBQI-UHFFFAOYSA-N
XLogP2.95
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.77
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclopentyl]-(5-chlorothiophen-2-yl)methanol?
The IUPAC name of [1-(aminomethyl)cyclopentyl]-(5-chlorothiophen-2-yl)methanol (CID 79137693) is [1-(aminomethyl)cyclopentyl]-(5-chlorothiophen-2-yl)methanol.
What is the SMILES notation for [1-(aminomethyl)cyclopentyl]-(5-chlorothiophen-2-yl)methanol?
The canonical SMILES for [1-(aminomethyl)cyclopentyl]-(5-chlorothiophen-2-yl)methanol is NCC1(C(O)c2ccc(Cl)s2)CCCC1.
What is the InChIKey of [1-(aminomethyl)cyclopentyl]-(5-chlorothiophen-2-yl)methanol?
The InChIKey is PWQVXNPOXRCBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNOS/c12-9-4-3-8(15-9)10(14)11(7-13)5-1-2-6-11/h3-4,10,14H,1-2,5-7,13H2.
What are the key properties of [1-(aminomethyl)cyclopentyl]-(5-chlorothiophen-2-yl)methanol?
[1-(aminomethyl)cyclopentyl]-(5-chlorothiophen-2-yl)methanol has a molecular weight of 245.77 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclopentyl]-(5-chlorothiophen-2-yl)methanol is sourced from PubChem (CID 79137693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).