3-(2-chlorocyclobuten-1-yl)sulfinylpropan-1-amine

C7H12ClNOS — CID 91043783

IUPAC3-(2-chlorocyclobuten-1-yl)sulfinylpropan-1-amine
SMILESNCCCS(=O)C1=C(Cl)CC1
InChIInChI=1S/C7H12ClNOS/c8-6-2-3-7(6)11(10)5-1-4-9/h1-5,9H2
InChIKeyBGWIYNWLVVDGRA-UHFFFAOYSA-N
MW193.70 g/mol
LogP1.33
Rot. Bonds4

About 3-(2-chlorocyclobuten-1-yl)sulfinylpropan-1-amine

3-(2-chlorocyclobuten-1-yl)sulfinylpropan-1-amine (PubChem CID 91043783) has the molecular formula C7H12ClNOS and a molecular weight of 193.70 g/mol. Its IUPAC name is 3-(2-chlorocyclobuten-1-yl)sulfinylpropan-1-amine.

Molecular Properties

Compound Name3-(2-chlorocyclobuten-1-yl)sulfinylpropan-1-amine
PubChem CID91043783
Molecular FormulaC7H12ClNOS
Molecular Weight193.70 g/mol
Exact Mass193.03
IUPAC Name3-(2-chlorocyclobuten-1-yl)sulfinylpropan-1-amine
SMILESNCCCS(=O)C1=C(Cl)CC1
InChIInChI=1S/C7H12ClNOS/c8-6-2-3-7(6)11(10)5-1-4-9/h1-5,9H2
InChIKeyBGWIYNWLVVDGRA-UHFFFAOYSA-N
XLogP1.33
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.70
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-Chlorocyclobut-2-en-1-yl)sulfinylethanamine
CID 58684502
3-(4-Chlorocyclobut-2-en-1-yl)sulfinylpropan-1-amine
CID 58684545
2-(2-Chlorocyclobuten-1-yl)sulfinylethanamine
CID 91553199

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorocyclobuten-1-yl)sulfinylpropan-1-amine?
The IUPAC name of 3-(2-chlorocyclobuten-1-yl)sulfinylpropan-1-amine (CID 91043783) is 3-(2-chlorocyclobuten-1-yl)sulfinylpropan-1-amine.
What is the SMILES notation for 3-(2-chlorocyclobuten-1-yl)sulfinylpropan-1-amine?
The canonical SMILES for 3-(2-chlorocyclobuten-1-yl)sulfinylpropan-1-amine is NCCCS(=O)C1=C(Cl)CC1.
What is the InChIKey of 3-(2-chlorocyclobuten-1-yl)sulfinylpropan-1-amine?
The InChIKey is BGWIYNWLVVDGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClNOS/c8-6-2-3-7(6)11(10)5-1-4-9/h1-5,9H2.
What are the key properties of 3-(2-chlorocyclobuten-1-yl)sulfinylpropan-1-amine?
3-(2-chlorocyclobuten-1-yl)sulfinylpropan-1-amine has a molecular weight of 193.70 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorocyclobuten-1-yl)sulfinylpropan-1-amine is sourced from PubChem (CID 91043783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).