[3-(5-chlorothiophen-2-yl)sulfanyloxetan-3-yl]methanamine

C8H10ClNOS2 — CID 117035303

IUPAC[3-(5-chlorothiophen-2-yl)sulfanyloxetan-3-yl]methanamine
SMILESNCC1(Sc2ccc(Cl)s2)COC1
InChIInChI=1S/C8H10ClNOS2/c9-6-1-2-7(12-6)13-8(3-10)4-11-5-8/h1-2H,3-5,10H2
InChIKeyDTZQXXRMPIFNAB-UHFFFAOYSA-N
MW235.76 g/mol
LogP2.22
Rot. Bonds3

About [3-(5-chlorothiophen-2-yl)sulfanyloxetan-3-yl]methanamine

[3-(5-chlorothiophen-2-yl)sulfanyloxetan-3-yl]methanamine (PubChem CID 117035303) has the molecular formula C8H10ClNOS2 and a molecular weight of 235.76 g/mol. Its IUPAC name is [3-(5-chlorothiophen-2-yl)sulfanyloxetan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(5-chlorothiophen-2-yl)sulfanyloxetan-3-yl]methanamine
PubChem CID117035303
Molecular FormulaC8H10ClNOS2
Molecular Weight235.76 g/mol
Exact Mass234.99
IUPAC Name[3-(5-chlorothiophen-2-yl)sulfanyloxetan-3-yl]methanamine
SMILESNCC1(Sc2ccc(Cl)s2)COC1
InChIInChI=1S/C8H10ClNOS2/c9-6-1-2-7(12-6)13-8(3-10)4-11-5-8/h1-2H,3-5,10H2
InChIKeyDTZQXXRMPIFNAB-UHFFFAOYSA-N
XLogP2.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.76
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(5-chlorothiophen-2-yl)sulfanyloxetan-3-yl]methanamine?
The IUPAC name of [3-(5-chlorothiophen-2-yl)sulfanyloxetan-3-yl]methanamine (CID 117035303) is [3-(5-chlorothiophen-2-yl)sulfanyloxetan-3-yl]methanamine.
What is the SMILES notation for [3-(5-chlorothiophen-2-yl)sulfanyloxetan-3-yl]methanamine?
The canonical SMILES for [3-(5-chlorothiophen-2-yl)sulfanyloxetan-3-yl]methanamine is NCC1(Sc2ccc(Cl)s2)COC1.
What is the InChIKey of [3-(5-chlorothiophen-2-yl)sulfanyloxetan-3-yl]methanamine?
The InChIKey is DTZQXXRMPIFNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNOS2/c9-6-1-2-7(12-6)13-8(3-10)4-11-5-8/h1-2H,3-5,10H2.
What are the key properties of [3-(5-chlorothiophen-2-yl)sulfanyloxetan-3-yl]methanamine?
[3-(5-chlorothiophen-2-yl)sulfanyloxetan-3-yl]methanamine has a molecular weight of 235.76 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-chlorothiophen-2-yl)sulfanyloxetan-3-yl]methanamine is sourced from PubChem (CID 117035303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).