N-(propylsulfamoyl)but-3-yn-1-amine

C7H14N2O2S — CID 114812578

IUPACN-(propylsulfamoyl)but-3-yn-1-amine
SMILESC#CCCNS(=O)(=O)NCCC
InChIInChI=1S/C7H14N2O2S/c1-3-5-7-9-12(10,11)8-6-4-2/h1,8-9H,4-7H2,2H3
InChIKeyNRBLNOPAMRVZTO-UHFFFAOYSA-N
MW190.27 g/mol
LogP-0.16
Rot. Bonds6

About N-(propylsulfamoyl)but-3-yn-1-amine

N-(propylsulfamoyl)but-3-yn-1-amine (PubChem CID 114812578) has the molecular formula C7H14N2O2S and a molecular weight of 190.27 g/mol. Its IUPAC name is N-(propylsulfamoyl)but-3-yn-1-amine.

Molecular Properties

Compound NameN-(propylsulfamoyl)but-3-yn-1-amine
PubChem CID114812578
Molecular FormulaC7H14N2O2S
Molecular Weight190.27 g/mol
Exact Mass190.08
IUPAC NameN-(propylsulfamoyl)but-3-yn-1-amine
SMILESC#CCCNS(=O)(=O)NCCC
InChIInChI=1S/C7H14N2O2S/c1-3-5-7-9-12(10,11)8-6-4-2/h1,8-9H,4-7H2,2H3
InChIKeyNRBLNOPAMRVZTO-UHFFFAOYSA-N
XLogP-0.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(propylsulfamoyl)but-3-yn-1-amine?
The IUPAC name of N-(propylsulfamoyl)but-3-yn-1-amine (CID 114812578) is N-(propylsulfamoyl)but-3-yn-1-amine.
What is the SMILES notation for N-(propylsulfamoyl)but-3-yn-1-amine?
The canonical SMILES for N-(propylsulfamoyl)but-3-yn-1-amine is C#CCCNS(=O)(=O)NCCC.
What is the InChIKey of N-(propylsulfamoyl)but-3-yn-1-amine?
The InChIKey is NRBLNOPAMRVZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2S/c1-3-5-7-9-12(10,11)8-6-4-2/h1,8-9H,4-7H2,2H3.
What are the key properties of N-(propylsulfamoyl)but-3-yn-1-amine?
N-(propylsulfamoyl)but-3-yn-1-amine has a molecular weight of 190.27 g/mol, XLogP of -0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(propylsulfamoyl)but-3-yn-1-amine is sourced from PubChem (CID 114812578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).