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

C8H16N2O2S — CID 114812608

IUPACN-(propylsulfamoyl)pent-3-yn-1-amine
SMILESCC#CCCNS(=O)(=O)NCCC
InChIInChI=1S/C8H16N2O2S/c1-3-5-6-8-10-13(11,12)9-7-4-2/h9-10H,4,6-8H2,1-2H3
InChIKeyYBYDBUTYPAVSOL-UHFFFAOYSA-N
MW204.29 g/mol
LogP0.23
Rot. Bonds6

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

N-(propylsulfamoyl)pent-3-yn-1-amine (PubChem CID 114812608) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol. Its IUPAC name is N-(propylsulfamoyl)pent-3-yn-1-amine.

Molecular Properties

Compound NameN-(propylsulfamoyl)pent-3-yn-1-amine
PubChem CID114812608
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC NameN-(propylsulfamoyl)pent-3-yn-1-amine
SMILESCC#CCCNS(=O)(=O)NCCC
InChIInChI=1S/C8H16N2O2S/c1-3-5-6-8-10-13(11,12)9-7-4-2/h9-10H,4,6-8H2,1-2H3
InChIKeyYBYDBUTYPAVSOL-UHFFFAOYSA-N
XLogP0.23
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 50.23
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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Related Compounds

N-(tert-butylsulfamoyl)pent-3-yn-1-amine
CID 114812605
3-(pent-3-ynylsulfamoyl)propanoic acid
CID 116642734
3-ethyl-1-(propylsulfamoylamino)pentan-2-ol
CID 106288196
2,2-dimethyl-N'-(propylsulfamoyl)propane-1,3-diamine
CID 114804144
2-(pent-3-ynylamino)-N-propylpropanamide
CID 104806535
1-ethyl-N-pent-3-ynylimidazole-4-sulfonamide
CID 116645236
5-bromo-4-chloro-N-pent-3-ynylthiophene-2-sulfonamide
CID 116645089
5-(propylsulfamoylamino)pentan-2-ol
CID 106125663
5-(propylsulfamoylamino)pentanoic acid
CID 114806222
2-chloro-N-pent-3-ynylacetamide
CID 116643290
1-methyl-3-pent-3-ynylurea
CID 116645214
N-pent-3-ynylbut-2-ynamide
CID 107992893

Frequently Asked Questions

What is the IUPAC name of N-(propylsulfamoyl)pent-3-yn-1-amine?
The IUPAC name of N-(propylsulfamoyl)pent-3-yn-1-amine (CID 114812608) is N-(propylsulfamoyl)pent-3-yn-1-amine.
What is the SMILES notation for N-(propylsulfamoyl)pent-3-yn-1-amine?
The canonical SMILES for N-(propylsulfamoyl)pent-3-yn-1-amine is CC#CCCNS(=O)(=O)NCCC.
What is the InChIKey of N-(propylsulfamoyl)pent-3-yn-1-amine?
The InChIKey is YBYDBUTYPAVSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S/c1-3-5-6-8-10-13(11,12)9-7-4-2/h9-10H,4,6-8H2,1-2H3.
What are the key properties of N-(propylsulfamoyl)pent-3-yn-1-amine?
N-(propylsulfamoyl)pent-3-yn-1-amine has a molecular weight of 204.29 g/mol, XLogP of 0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(propylsulfamoyl)pent-3-yn-1-amine is sourced from PubChem (CID 114812608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).