2,3-bis(methylsulfonyl)propan-1-amine

C5H13NO4S2 — CID 54260184

IUPAC2,3-bis(methylsulfonyl)propan-1-amine
SMILESCS(=O)(=O)CC(CN)S(C)(=O)=O
InChIInChI=1S/C5H13NO4S2/c1-11(7,8)4-5(3-6)12(2,9)10/h5H,3-4,6H2,1-2H3
InChIKeyUSZSBCYZBOLZSE-UHFFFAOYSA-N
MW215.30 g/mol
LogP-1.60
Rot. Bonds4

About 2,3-bis(methylsulfonyl)propan-1-amine

2,3-bis(methylsulfonyl)propan-1-amine (PubChem CID 54260184) has the molecular formula C5H13NO4S2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2,3-bis(methylsulfonyl)propan-1-amine.

Molecular Properties

Compound Name2,3-bis(methylsulfonyl)propan-1-amine
PubChem CID54260184
Molecular FormulaC5H13NO4S2
Molecular Weight215.30 g/mol
Exact Mass215.03
IUPAC Name2,3-bis(methylsulfonyl)propan-1-amine
SMILESCS(=O)(=O)CC(CN)S(C)(=O)=O
InChIInChI=1S/C5H13NO4S2/c1-11(7,8)4-5(3-6)12(2,9)10/h5H,3-4,6H2,1-2H3
InChIKeyUSZSBCYZBOLZSE-UHFFFAOYSA-N
XLogP-1.60
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-1.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(methylsulfonyl)propan-1-amine?
The IUPAC name of 2,3-bis(methylsulfonyl)propan-1-amine (CID 54260184) is 2,3-bis(methylsulfonyl)propan-1-amine.
What is the SMILES notation for 2,3-bis(methylsulfonyl)propan-1-amine?
The canonical SMILES for 2,3-bis(methylsulfonyl)propan-1-amine is CS(=O)(=O)CC(CN)S(C)(=O)=O.
What is the InChIKey of 2,3-bis(methylsulfonyl)propan-1-amine?
The InChIKey is USZSBCYZBOLZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO4S2/c1-11(7,8)4-5(3-6)12(2,9)10/h5H,3-4,6H2,1-2H3.
What are the key properties of 2,3-bis(methylsulfonyl)propan-1-amine?
2,3-bis(methylsulfonyl)propan-1-amine has a molecular weight of 215.30 g/mol, XLogP of -1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(methylsulfonyl)propan-1-amine is sourced from PubChem (CID 54260184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).