4-aminobutane-2-sulfinyl chloride

C4H10ClNOS — CID 134927920

IUPAC4-aminobutane-2-sulfinyl chloride
SMILESCC(CCN)S(=O)Cl
InChIInChI=1S/C4H10ClNOS/c1-4(2-3-6)8(5)7/h4H,2-3,6H2,1H3
InChIKeyMYCMMRGJZSSNKR-UHFFFAOYSA-N
MW155.65 g/mol
LogP0.63
Rot. Bonds3

About 4-aminobutane-2-sulfinyl chloride

4-aminobutane-2-sulfinyl chloride (PubChem CID 134927920) has the molecular formula C4H10ClNOS and a molecular weight of 155.65 g/mol. Its IUPAC name is 4-aminobutane-2-sulfinyl chloride.

Molecular Properties

Compound Name4-aminobutane-2-sulfinyl chloride
PubChem CID134927920
Molecular FormulaC4H10ClNOS
Molecular Weight155.65 g/mol
Exact Mass155.02
IUPAC Name4-aminobutane-2-sulfinyl chloride
SMILESCC(CCN)S(=O)Cl
InChIInChI=1S/C4H10ClNOS/c1-4(2-3-6)8(5)7/h4H,2-3,6H2,1H3
InChIKeyMYCMMRGJZSSNKR-UHFFFAOYSA-N
XLogP0.63
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.65
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methanesulfinylbutan-1-amine
CID 12981639
2-Methanesulfinylpropan-1-amine
CID 53806283
1-Butanamine, 3-(methylsulfinyl)-
CID 58685055
3-Methanesulfinylpropan-1-amine hydrochloride
CID 88921732
4-Aminobutane-2-sulfonyl fluoride hydrochloride
CID 165993534
4-Aminobutane-1-sulfinyl chloride
CID 134994658
4-Aminobutane-2-sulfonamide;hydrochloride
CID 170912790
n-Butylethanesulfinamide
CID 546320
N-ethylpropane-2-sulfinamide
CID 21703066
N-ethylbutane-2-sulfinamide
CID 21703068
N-ethylbutane-1-sulfinamide
CID 53651139
N-ethylpropane-1-sulfinamide
CID 53813437

Frequently Asked Questions

What is the IUPAC name of 4-aminobutane-2-sulfinyl chloride?
The IUPAC name of 4-aminobutane-2-sulfinyl chloride (CID 134927920) is 4-aminobutane-2-sulfinyl chloride.
What is the SMILES notation for 4-aminobutane-2-sulfinyl chloride?
The canonical SMILES for 4-aminobutane-2-sulfinyl chloride is CC(CCN)S(=O)Cl.
What is the InChIKey of 4-aminobutane-2-sulfinyl chloride?
The InChIKey is MYCMMRGJZSSNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10ClNOS/c1-4(2-3-6)8(5)7/h4H,2-3,6H2,1H3.
What are the key properties of 4-aminobutane-2-sulfinyl chloride?
4-aminobutane-2-sulfinyl chloride has a molecular weight of 155.65 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminobutane-2-sulfinyl chloride is sourced from PubChem (CID 134927920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).