3-[[methyl(propan-2-yl)sulfamoyl]amino]hex-1-yne

C10H20N2O2S — CID 106898864

IUPAC3-[[methyl(propan-2-yl)sulfamoyl]amino]hex-1-yne
SMILESC#CC(CCC)NS(=O)(=O)N(C)C(C)C
InChIInChI=1S/C10H20N2O2S/c1-6-8-10(7-2)11-15(13,14)12(5)9(3)4/h2,9-11H,6,8H2,1,3-5H3
InChIKeyACUOHYRWIRDWOQ-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.96
Rot. Bonds6

About 3-[[methyl(propan-2-yl)sulfamoyl]amino]hex-1-yne

3-[[methyl(propan-2-yl)sulfamoyl]amino]hex-1-yne (PubChem CID 106898864) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 3-[[methyl(propan-2-yl)sulfamoyl]amino]hex-1-yne.

Molecular Properties

Compound Name3-[[methyl(propan-2-yl)sulfamoyl]amino]hex-1-yne
PubChem CID106898864
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name3-[[methyl(propan-2-yl)sulfamoyl]amino]hex-1-yne
SMILESC#CC(CCC)NS(=O)(=O)N(C)C(C)C
InChIInChI=1S/C10H20N2O2S/c1-6-8-10(7-2)11-15(13,14)12(5)9(3)4/h2,9-11H,6,8H2,1,3-5H3
InChIKeyACUOHYRWIRDWOQ-UHFFFAOYSA-N
XLogP0.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.96
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-hex-1-yn-3-ylmethanesulfonamide
CID 106898819
N-hex-1-yn-3-yl-2-propan-2-yloxyethanesulfonamide
CID 106898849
2-[[methyl(propan-2-yl)sulfamoyl]amino]pentanethioamide
CID 61454058
(2R)-1-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]butane
CID 103918549
N-hex-1-yn-3-yloxane-4-sulfonamide
CID 106898803
N-hex-1-yn-3-ylpiperazine-1-sulfonamide
CID 106231115
3-(hex-1-yn-3-ylamino)-N,N-dimethylpropanamide
CID 106230179
N-but-3-yn-2-ylhex-1-yn-3-amine
CID 106229924
N-pentan-2-ylhex-1-yn-3-amine
CID 106226440
N-(2-methylpropyl)hex-1-yn-3-amine
CID 107234224
2-(dimethylsulfamoylamino)pentane
CID 4635587
(2R)-1-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]propane
CID 79028078

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl(propan-2-yl)sulfamoyl]amino]hex-1-yne?
The IUPAC name of 3-[[methyl(propan-2-yl)sulfamoyl]amino]hex-1-yne (CID 106898864) is 3-[[methyl(propan-2-yl)sulfamoyl]amino]hex-1-yne.
What is the SMILES notation for 3-[[methyl(propan-2-yl)sulfamoyl]amino]hex-1-yne?
The canonical SMILES for 3-[[methyl(propan-2-yl)sulfamoyl]amino]hex-1-yne is C#CC(CCC)NS(=O)(=O)N(C)C(C)C.
What is the InChIKey of 3-[[methyl(propan-2-yl)sulfamoyl]amino]hex-1-yne?
The InChIKey is ACUOHYRWIRDWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-6-8-10(7-2)11-15(13,14)12(5)9(3)4/h2,9-11H,6,8H2,1,3-5H3.
What are the key properties of 3-[[methyl(propan-2-yl)sulfamoyl]amino]hex-1-yne?
3-[[methyl(propan-2-yl)sulfamoyl]amino]hex-1-yne has a molecular weight of 232.35 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(propan-2-yl)sulfamoyl]amino]hex-1-yne is sourced from PubChem (CID 106898864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).