propane-2-sulfonamide

C3H9NO2S — CID 3549191

IUPACpropane-2-sulfonamide
SMILESCC(C)S(N)(=O)=O
InChIInChI=1S/C3H9NO2S/c1-3(2)7(4,5)6/h3H,1-2H3,(H2,4,5,6)
InChIKeySJMCLWCCNYAWRQ-UHFFFAOYSA-N
MW123.18 g/mol
LogP-0.32
Rot. Bonds1

About propane-2-sulfonamide

propane-2-sulfonamide (PubChem CID 3549191) has the molecular formula C3H9NO2S and a molecular weight of 123.18 g/mol. Its IUPAC name is propane-2-sulfonamide.

Molecular Properties

Compound Namepropane-2-sulfonamide
PubChem CID3549191
Molecular FormulaC3H9NO2S
Molecular Weight123.18 g/mol
Exact Mass123.04
IUPAC Namepropane-2-sulfonamide
SMILESCC(C)S(N)(=O)=O
InChIInChI=1S/C3H9NO2S/c1-3(2)7(4,5)6/h3H,1-2H3,(H2,4,5,6)
InChIKeySJMCLWCCNYAWRQ-UHFFFAOYSA-N
XLogP-0.32
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.18
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Ethanesulfonamide
CID 73702
1-Butanesulfonamide
CID 18460
2-Pentanesulfonamide
CID 205367
1-Pentanesulfonamide
CID 10920696
Propane-1-sulphonamide
CID 3401849
2-Methylpropane-1-sulfonamide
CID 10197726
Propane-1-sulfinamide
CID 53787101
Propane-2-sulfinamide
CID 54439398
Hexane-1-sulfonamide
CID 13537577
Propane-1-sulfonohydrazide
CID 4448311
Propane-2-sulfonohydrazide
CID 5078112
2,2-Dimethylpropane-1-sulfonamide
CID 18348400

Frequently Asked Questions

What is the IUPAC name of propane-2-sulfonamide?
The IUPAC name of propane-2-sulfonamide (CID 3549191) is propane-2-sulfonamide.
What is the SMILES notation for propane-2-sulfonamide?
The canonical SMILES for propane-2-sulfonamide is CC(C)S(N)(=O)=O.
What is the InChIKey of propane-2-sulfonamide?
The InChIKey is SJMCLWCCNYAWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO2S/c1-3(2)7(4,5)6/h3H,1-2H3,(H2,4,5,6).
What are the key properties of propane-2-sulfonamide?
propane-2-sulfonamide has a molecular weight of 123.18 g/mol, XLogP of -0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propane-2-sulfonamide is sourced from PubChem (CID 3549191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).