1-[[propyl(prop-2-ynyl)sulfamoyl]amino]propane

C9H18N2O2S — CID 114812596

IUPAC1-[[propyl(prop-2-ynyl)sulfamoyl]amino]propane
SMILESC#CCN(CCC)S(=O)(=O)NCCC
InChIInChI=1S/C9H18N2O2S/c1-4-7-10-14(12,13)11(8-5-2)9-6-3/h2,10H,4,6-9H2,1,3H3
InChIKeyKYSZKSRDOAWMPF-UHFFFAOYSA-N
MW218.32 g/mol
LogP0.58
Rot. Bonds7

About 1-[[propyl(prop-2-ynyl)sulfamoyl]amino]propane

1-[[propyl(prop-2-ynyl)sulfamoyl]amino]propane (PubChem CID 114812596) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 1-[[propyl(prop-2-ynyl)sulfamoyl]amino]propane.

Molecular Properties

Compound Name1-[[propyl(prop-2-ynyl)sulfamoyl]amino]propane
PubChem CID114812596
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name1-[[propyl(prop-2-ynyl)sulfamoyl]amino]propane
SMILESC#CCN(CCC)S(=O)(=O)NCCC
InChIInChI=1S/C9H18N2O2S/c1-4-7-10-14(12,13)11(8-5-2)9-6-3/h2,10H,4,6-9H2,1,3H3
InChIKeyKYSZKSRDOAWMPF-UHFFFAOYSA-N
XLogP0.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-propyl-N-prop-2-ynylpyrrolidine-1-sulfonamide
CID 78942640
1-amino-4-[2-(dipropylsulfamoylamino)ethyl]benzene
CID 63237275
methyl 2-[4-[propyl(prop-2-ynyl)sulfamoyl]phenyl]acetate
CID 78958953
1-[[2-hydroxyethyl(2-methoxyethyl)sulfamoyl]amino]propane
CID 114809784
2-[ethylsulfamoyl(propyl)amino]ethanethioamide
CID 114808251
[2-aminoethyl(propylsulfamoyl)amino]methylbenzene
CID 114803646
2-[2-(dipropylsulfamoylamino)ethoxy]acetic acid
CID 79457740
1-(dipropylsulfamoylamino)-3-(2-hydroxyethoxy)propane
CID 104600519
methyl 2-[ethyl(propylsulfamoyl)amino]acetate
CID 114811544
6-(dipropylsulfamoylamino)-4,4-dimethylhexanoic acid
CID 65285119
3-[cyclopropyl(propylsulfamoyl)amino]propanoic acid
CID 114805583
[2-methylpropylsulfamoyl(prop-2-ynyl)amino]methylcyclopropane
CID 114816677

Frequently Asked Questions

What is the IUPAC name of 1-[[propyl(prop-2-ynyl)sulfamoyl]amino]propane?
The IUPAC name of 1-[[propyl(prop-2-ynyl)sulfamoyl]amino]propane (CID 114812596) is 1-[[propyl(prop-2-ynyl)sulfamoyl]amino]propane.
What is the SMILES notation for 1-[[propyl(prop-2-ynyl)sulfamoyl]amino]propane?
The canonical SMILES for 1-[[propyl(prop-2-ynyl)sulfamoyl]amino]propane is C#CCN(CCC)S(=O)(=O)NCCC.
What is the InChIKey of 1-[[propyl(prop-2-ynyl)sulfamoyl]amino]propane?
The InChIKey is KYSZKSRDOAWMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-4-7-10-14(12,13)11(8-5-2)9-6-3/h2,10H,4,6-9H2,1,3H3.
What are the key properties of 1-[[propyl(prop-2-ynyl)sulfamoyl]amino]propane?
1-[[propyl(prop-2-ynyl)sulfamoyl]amino]propane has a molecular weight of 218.32 g/mol, XLogP of 0.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[propyl(prop-2-ynyl)sulfamoyl]amino]propane is sourced from PubChem (CID 114812596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).