N-(1-aminopropan-2-yl)prop-2-ene-1-sulfonamide

C6H14N2O2S — CID 79674006

IUPACN-(1-aminopropan-2-yl)prop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)NC(C)CN
InChIInChI=1S/C6H14N2O2S/c1-3-4-11(9,10)8-6(2)5-7/h3,6,8H,1,4-5,7H2,2H3
InChIKeyGVBPNWSWBJQEIZ-UHFFFAOYSA-N
MW178.26 g/mol
LogP-0.56
Rot. Bonds5

About N-(1-aminopropan-2-yl)prop-2-ene-1-sulfonamide

N-(1-aminopropan-2-yl)prop-2-ene-1-sulfonamide (PubChem CID 79674006) has the molecular formula C6H14N2O2S and a molecular weight of 178.26 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)prop-2-ene-1-sulfonamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)prop-2-ene-1-sulfonamide
PubChem CID79674006
Molecular FormulaC6H14N2O2S
Molecular Weight178.26 g/mol
Exact Mass178.08
IUPAC NameN-(1-aminopropan-2-yl)prop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)NC(C)CN
InChIInChI=1S/C6H14N2O2S/c1-3-4-11(9,10)8-6(2)5-7/h3,6,8H,1,4-5,7H2,2H3
InChIKeyGVBPNWSWBJQEIZ-UHFFFAOYSA-N
XLogP-0.56
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)prop-2-ene-1-sulfonamide?
The IUPAC name of N-(1-aminopropan-2-yl)prop-2-ene-1-sulfonamide (CID 79674006) is N-(1-aminopropan-2-yl)prop-2-ene-1-sulfonamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)prop-2-ene-1-sulfonamide?
The canonical SMILES for N-(1-aminopropan-2-yl)prop-2-ene-1-sulfonamide is C=CCS(=O)(=O)NC(C)CN.
What is the InChIKey of N-(1-aminopropan-2-yl)prop-2-ene-1-sulfonamide?
The InChIKey is GVBPNWSWBJQEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S/c1-3-4-11(9,10)8-6(2)5-7/h3,6,8H,1,4-5,7H2,2H3.
What are the key properties of N-(1-aminopropan-2-yl)prop-2-ene-1-sulfonamide?
N-(1-aminopropan-2-yl)prop-2-ene-1-sulfonamide has a molecular weight of 178.26 g/mol, XLogP of -0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)prop-2-ene-1-sulfonamide is sourced from PubChem (CID 79674006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).