N-(2-chlorothiophen-3-yl)oxepan-4-amine

C10H14ClNOS — CID 131160084

IUPACN-(2-chlorothiophen-3-yl)oxepan-4-amine
SMILESClc1sccc1NC1CCCOCC1
InChIInChI=1S/C10H14ClNOS/c11-10-9(4-7-14-10)12-8-2-1-5-13-6-3-8/h4,7-8,12H,1-3,5-6H2
InChIKeyOLOCNGYGDKOTPW-UHFFFAOYSA-N
MW231.75 g/mol
LogP3.38
Rot. Bonds2

About N-(2-chlorothiophen-3-yl)oxepan-4-amine

N-(2-chlorothiophen-3-yl)oxepan-4-amine (PubChem CID 131160084) has the molecular formula C10H14ClNOS and a molecular weight of 231.75 g/mol. Its IUPAC name is N-(2-chlorothiophen-3-yl)oxepan-4-amine.

Molecular Properties

Compound NameN-(2-chlorothiophen-3-yl)oxepan-4-amine
PubChem CID131160084
Molecular FormulaC10H14ClNOS
Molecular Weight231.75 g/mol
Exact Mass231.05
IUPAC NameN-(2-chlorothiophen-3-yl)oxepan-4-amine
SMILESClc1sccc1NC1CCCOCC1
InChIInChI=1S/C10H14ClNOS/c11-10-9(4-7-14-10)12-8-2-1-5-13-6-3-8/h4,7-8,12H,1-3,5-6H2
InChIKeyOLOCNGYGDKOTPW-UHFFFAOYSA-N
XLogP3.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.75
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorothiophen-3-yl)oxepan-4-amine?
The IUPAC name of N-(2-chlorothiophen-3-yl)oxepan-4-amine (CID 131160084) is N-(2-chlorothiophen-3-yl)oxepan-4-amine.
What is the SMILES notation for N-(2-chlorothiophen-3-yl)oxepan-4-amine?
The canonical SMILES for N-(2-chlorothiophen-3-yl)oxepan-4-amine is Clc1sccc1NC1CCCOCC1.
What is the InChIKey of N-(2-chlorothiophen-3-yl)oxepan-4-amine?
The InChIKey is OLOCNGYGDKOTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNOS/c11-10-9(4-7-14-10)12-8-2-1-5-13-6-3-8/h4,7-8,12H,1-3,5-6H2.
What are the key properties of N-(2-chlorothiophen-3-yl)oxepan-4-amine?
N-(2-chlorothiophen-3-yl)oxepan-4-amine has a molecular weight of 231.75 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorothiophen-3-yl)oxepan-4-amine is sourced from PubChem (CID 131160084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).