3-amino-3-oxopropane-1-sulfonyl chloride

C3H6ClNO3S — CID 84654245

IUPAC3-amino-3-oxopropane-1-sulfonyl chloride
SMILESNC(=O)CCS(=O)(=O)Cl
InChIInChI=1S/C3H6ClNO3S/c4-9(7,8)2-1-3(5)6/h1-2H2,(H2,5,6)
InChIKeyVOSWQGRZVRSZIJ-UHFFFAOYSA-N
MW171.60 g/mol
LogP-0.57
Rot. Bonds3

About 3-amino-3-oxopropane-1-sulfonyl chloride

3-amino-3-oxopropane-1-sulfonyl chloride (PubChem CID 84654245) has the molecular formula C3H6ClNO3S and a molecular weight of 171.60 g/mol. Its IUPAC name is 3-amino-3-oxopropane-1-sulfonyl chloride.

Molecular Properties

Compound Name3-amino-3-oxopropane-1-sulfonyl chloride
PubChem CID84654245
Molecular FormulaC3H6ClNO3S
Molecular Weight171.60 g/mol
Exact Mass170.98
IUPAC Name3-amino-3-oxopropane-1-sulfonyl chloride
SMILESNC(=O)CCS(=O)(=O)Cl
InChIInChI=1S/C3H6ClNO3S/c4-9(7,8)2-1-3(5)6/h1-2H2,(H2,5,6)
InChIKeyVOSWQGRZVRSZIJ-UHFFFAOYSA-N
XLogP-0.57
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.60
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

potassium;3-amino-3-oxopropane-1-sulfonic acid;hydride
CID 173000399
butanediamide;molybdenum
CID 161333962
butanediamide;hydrobromide
CID 158484059
CID 87057822
CID 87057822
propan-2-yl 3-chlorosulfonylpropanoate
CID 21395637
2-chlorosulfonylethyl acetate
CID 13139000
hexanediamide;hydrazine
CID 160978463
pentadecanediamide
CID 87429217
docosanediamide;hexacosanediamide
CID 129179979
dodecanediamide;nonanediamide
CID 175017820
nonatetracontanediamide
CID 162734608
hexanediamide;hydrazine
CID 160854105

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-oxopropane-1-sulfonyl chloride?
The IUPAC name of 3-amino-3-oxopropane-1-sulfonyl chloride (CID 84654245) is 3-amino-3-oxopropane-1-sulfonyl chloride.
What is the SMILES notation for 3-amino-3-oxopropane-1-sulfonyl chloride?
The canonical SMILES for 3-amino-3-oxopropane-1-sulfonyl chloride is NC(=O)CCS(=O)(=O)Cl.
What is the InChIKey of 3-amino-3-oxopropane-1-sulfonyl chloride?
The InChIKey is VOSWQGRZVRSZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6ClNO3S/c4-9(7,8)2-1-3(5)6/h1-2H2,(H2,5,6).
What are the key properties of 3-amino-3-oxopropane-1-sulfonyl chloride?
3-amino-3-oxopropane-1-sulfonyl chloride has a molecular weight of 171.60 g/mol, XLogP of -0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-oxopropane-1-sulfonyl chloride is sourced from PubChem (CID 84654245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).