3-[methyl(sulfamoyl)amino]prop-1-yne

C4H8N2O2S — CID 112573871

IUPAC3-[methyl(sulfamoyl)amino]prop-1-yne
SMILESC#CCN(C)S(N)(=O)=O
InChIInChI=1S/C4H8N2O2S/c1-3-4-6(2)9(5,7)8/h1H,4H2,2H3,(H2,5,7,8)
InChIKeyFOTMRTTZFPFFHJ-UHFFFAOYSA-N
MW148.19 g/mol
LogP-1.25
Rot. Bonds2

About 3-[methyl(sulfamoyl)amino]prop-1-yne

3-[methyl(sulfamoyl)amino]prop-1-yne (PubChem CID 112573871) has the molecular formula C4H8N2O2S and a molecular weight of 148.19 g/mol. Its IUPAC name is 3-[methyl(sulfamoyl)amino]prop-1-yne.

Molecular Properties

Compound Name3-[methyl(sulfamoyl)amino]prop-1-yne
PubChem CID112573871
Molecular FormulaC4H8N2O2S
Molecular Weight148.19 g/mol
Exact Mass148.03
IUPAC Name3-[methyl(sulfamoyl)amino]prop-1-yne
SMILESC#CCN(C)S(N)(=O)=O
InChIInChI=1S/C4H8N2O2S/c1-3-4-6(2)9(5,7)8/h1H,4H2,2H3,(H2,5,7,8)
InChIKeyFOTMRTTZFPFFHJ-UHFFFAOYSA-N
XLogP-1.25
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.19
LogP ≤ 5-1.25
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-methyl-N-(prop-2-yn-1-yl)sulfamoyl chloride
CID 15767342
(Methyl(propyl)sulfamoyl)amine
CID 43271536
N,N-Dimethyl-Na(2)-2-propyn-1-ylsulfamide
CID 25037409
(But-3-yn-1-yl)(dimethylsulfamoyl)amine
CID 56765736
3-[Methyl(sulfinamoyloxy)amino]prop-1-yne
CID 59887687
3-[Methyl(methylsulfamoyl)amino]prop-1-yne
CID 87570367
(Dimethylsulfamoylamino)ethyne
CID 121316959
lithium N-ethyl-N-prop-2-ynylsulfamate
CID 156663458
3-[Diethyl(sulfonato)azaniumyl]prop-1-yne
CID 174838031
N-(dimethylsulfamoyl)-N-methylprop-2-yn-1-amine
CID 13295156
N-(dimethylsulfamoyl)-N-ethylprop-2-yn-1-amine
CID 13295157
N-(diethylsulfamoyl)-N-methylprop-2-yn-1-amine
CID 14617450

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(sulfamoyl)amino]prop-1-yne?
The IUPAC name of 3-[methyl(sulfamoyl)amino]prop-1-yne (CID 112573871) is 3-[methyl(sulfamoyl)amino]prop-1-yne.
What is the SMILES notation for 3-[methyl(sulfamoyl)amino]prop-1-yne?
The canonical SMILES for 3-[methyl(sulfamoyl)amino]prop-1-yne is C#CCN(C)S(N)(=O)=O.
What is the InChIKey of 3-[methyl(sulfamoyl)amino]prop-1-yne?
The InChIKey is FOTMRTTZFPFFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O2S/c1-3-4-6(2)9(5,7)8/h1H,4H2,2H3,(H2,5,7,8).
What are the key properties of 3-[methyl(sulfamoyl)amino]prop-1-yne?
3-[methyl(sulfamoyl)amino]prop-1-yne has a molecular weight of 148.19 g/mol, XLogP of -1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(sulfamoyl)amino]prop-1-yne is sourced from PubChem (CID 112573871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).