2-propan-2-ylsulfanylethanesulfonamide

C5H13NO2S2 — CID 130505725

IUPAC2-propan-2-ylsulfanylethanesulfonamide
SMILESCC(C)SCCS(N)(=O)=O
InChIInChI=1S/C5H13NO2S2/c1-5(2)9-3-4-10(6,7)8/h5H,3-4H2,1-2H3,(H2,6,7,8)
InChIKeySEJRSBGERJRNTH-UHFFFAOYSA-N
MW183.30 g/mol
LogP0.42
Rot. Bonds4

About 2-propan-2-ylsulfanylethanesulfonamide

2-propan-2-ylsulfanylethanesulfonamide (PubChem CID 130505725) has the molecular formula C5H13NO2S2 and a molecular weight of 183.30 g/mol. Its IUPAC name is 2-propan-2-ylsulfanylethanesulfonamide.

Molecular Properties

Compound Name2-propan-2-ylsulfanylethanesulfonamide
PubChem CID130505725
Molecular FormulaC5H13NO2S2
Molecular Weight183.30 g/mol
Exact Mass183.04
IUPAC Name2-propan-2-ylsulfanylethanesulfonamide
SMILESCC(C)SCCS(N)(=O)=O
InChIInChI=1S/C5H13NO2S2/c1-5(2)9-3-4-10(6,7)8/h5H,3-4H2,1-2H3,(H2,6,7,8)
InChIKeySEJRSBGERJRNTH-UHFFFAOYSA-N
XLogP0.42
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylsulfanylethanesulfonamide?
The IUPAC name of 2-propan-2-ylsulfanylethanesulfonamide (CID 130505725) is 2-propan-2-ylsulfanylethanesulfonamide.
What is the SMILES notation for 2-propan-2-ylsulfanylethanesulfonamide?
The canonical SMILES for 2-propan-2-ylsulfanylethanesulfonamide is CC(C)SCCS(N)(=O)=O.
What is the InChIKey of 2-propan-2-ylsulfanylethanesulfonamide?
The InChIKey is SEJRSBGERJRNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2S2/c1-5(2)9-3-4-10(6,7)8/h5H,3-4H2,1-2H3,(H2,6,7,8).
What are the key properties of 2-propan-2-ylsulfanylethanesulfonamide?
2-propan-2-ylsulfanylethanesulfonamide has a molecular weight of 183.30 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylsulfanylethanesulfonamide is sourced from PubChem (CID 130505725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).