3-(dimethylamino)butane-1-sulfonamide

C6H16N2O2S — CID 57165638

IUPAC3-(dimethylamino)butane-1-sulfonamide
SMILESCC(CCS(N)(=O)=O)N(C)C
InChIInChI=1S/C6H16N2O2S/c1-6(8(2)3)4-5-11(7,9)10/h6H,4-5H2,1-3H3,(H2,7,9,10)
InChIKeyNNFUPXVEAHLWQW-UHFFFAOYSA-N
MW180.27 g/mol
LogP-0.38
Rot. Bonds4

About 3-(dimethylamino)butane-1-sulfonamide

3-(dimethylamino)butane-1-sulfonamide (PubChem CID 57165638) has the molecular formula C6H16N2O2S and a molecular weight of 180.27 g/mol. Its IUPAC name is 3-(dimethylamino)butane-1-sulfonamide.

Molecular Properties

Compound Name3-(dimethylamino)butane-1-sulfonamide
PubChem CID57165638
Molecular FormulaC6H16N2O2S
Molecular Weight180.27 g/mol
Exact Mass180.09
IUPAC Name3-(dimethylamino)butane-1-sulfonamide
SMILESCC(CCS(N)(=O)=O)N(C)C
InChIInChI=1S/C6H16N2O2S/c1-6(8(2)3)4-5-11(7,9)10/h6H,4-5H2,1-3H3,(H2,7,9,10)
InChIKeyNNFUPXVEAHLWQW-UHFFFAOYSA-N
XLogP-0.38
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)butane-1-sulfonamide?
The IUPAC name of 3-(dimethylamino)butane-1-sulfonamide (CID 57165638) is 3-(dimethylamino)butane-1-sulfonamide.
What is the SMILES notation for 3-(dimethylamino)butane-1-sulfonamide?
The canonical SMILES for 3-(dimethylamino)butane-1-sulfonamide is CC(CCS(N)(=O)=O)N(C)C.
What is the InChIKey of 3-(dimethylamino)butane-1-sulfonamide?
The InChIKey is NNFUPXVEAHLWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O2S/c1-6(8(2)3)4-5-11(7,9)10/h6H,4-5H2,1-3H3,(H2,7,9,10).
What are the key properties of 3-(dimethylamino)butane-1-sulfonamide?
3-(dimethylamino)butane-1-sulfonamide has a molecular weight of 180.27 g/mol, XLogP of -0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)butane-1-sulfonamide is sourced from PubChem (CID 57165638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).