[2-methylpropylsulfamoyl(prop-2-ynyl)amino]methylcyclopropane

C11H20N2O2S — CID 114816677

IUPAC[2-methylpropylsulfamoyl(prop-2-ynyl)amino]methylcyclopropane
SMILESC#CCN(CC1CC1)S(=O)(=O)NCC(C)C
InChIInChI=1S/C11H20N2O2S/c1-4-7-13(9-11-5-6-11)16(14,15)12-8-10(2)3/h1,10-12H,5-9H2,2-3H3
InChIKeyTZIRXZWGWONSME-UHFFFAOYSA-N
MW244.36 g/mol
LogP0.82
Rot. Bonds7

About [2-methylpropylsulfamoyl(prop-2-ynyl)amino]methylcyclopropane

[2-methylpropylsulfamoyl(prop-2-ynyl)amino]methylcyclopropane (PubChem CID 114816677) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is [2-methylpropylsulfamoyl(prop-2-ynyl)amino]methylcyclopropane.

Molecular Properties

Compound Name[2-methylpropylsulfamoyl(prop-2-ynyl)amino]methylcyclopropane
PubChem CID114816677
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name[2-methylpropylsulfamoyl(prop-2-ynyl)amino]methylcyclopropane
SMILESC#CCN(CC1CC1)S(=O)(=O)NCC(C)C
InChIInChI=1S/C11H20N2O2S/c1-4-7-13(9-11-5-6-11)16(14,15)12-8-10(2)3/h1,10-12H,5-9H2,2-3H3
InChIKeyTZIRXZWGWONSME-UHFFFAOYSA-N
XLogP0.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 50.82
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

[tert-butylsulfamoyl(prop-2-ynyl)amino]methylcyclopropane
CID 114812579
N-(cyclopropylmethyl)-N-prop-2-ynylcyclopropanesulfonamide
CID 115556536
N-(cyclopropylmethyl)-2-propan-2-yloxy-N-prop-2-ynylethanesulfonamide
CID 115556523
1-(diethylsulfamoylamino)-2-methylpropane
CID 60708093
N-(cyclopropylmethyl)-N-prop-2-ynylpyrrolidine-1-sulfonamide
CID 115556438
N-(cyclopropylmethyl)-N-prop-2-ynylpiperidine-1-sulfonamide
CID 115556534
3-[[2-methylpropylsulfamoyl(propyl)amino]methyl]piperidine
CID 106631308
N-(cyclopropylmethyl)-2,4-dimethyl-N-prop-2-ynylbenzenesulfonamide
CID 113334751
N-(cyclopropylmethyl)-N-prop-2-ynylbenzenesulfonamide
CID 80965589
methyl 3-[[cyclopropylmethyl(prop-2-ynyl)sulfamoyl]-methylamino]propanoate
CID 115556499
[methyl-[2-(methylamino)propylsulfamoyl]amino]methylcyclopropane
CID 120824378
N-(cyclopropylmethyl)-5-fluoro-2-methyl-N-prop-2-ynylbenzenesulfonamide
CID 115556481

Frequently Asked Questions

What is the IUPAC name of [2-methylpropylsulfamoyl(prop-2-ynyl)amino]methylcyclopropane?
The IUPAC name of [2-methylpropylsulfamoyl(prop-2-ynyl)amino]methylcyclopropane (CID 114816677) is [2-methylpropylsulfamoyl(prop-2-ynyl)amino]methylcyclopropane.
What is the SMILES notation for [2-methylpropylsulfamoyl(prop-2-ynyl)amino]methylcyclopropane?
The canonical SMILES for [2-methylpropylsulfamoyl(prop-2-ynyl)amino]methylcyclopropane is C#CCN(CC1CC1)S(=O)(=O)NCC(C)C.
What is the InChIKey of [2-methylpropylsulfamoyl(prop-2-ynyl)amino]methylcyclopropane?
The InChIKey is TZIRXZWGWONSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-4-7-13(9-11-5-6-11)16(14,15)12-8-10(2)3/h1,10-12H,5-9H2,2-3H3.
What are the key properties of [2-methylpropylsulfamoyl(prop-2-ynyl)amino]methylcyclopropane?
[2-methylpropylsulfamoyl(prop-2-ynyl)amino]methylcyclopropane has a molecular weight of 244.36 g/mol, XLogP of 0.82, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methylpropylsulfamoyl(prop-2-ynyl)amino]methylcyclopropane is sourced from PubChem (CID 114816677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).