[tert-butylsulfamoyl(prop-2-ynyl)amino]methylcyclopropane

C11H20N2O2S — CID 114812579

IUPAC[tert-butylsulfamoyl(prop-2-ynyl)amino]methylcyclopropane
SMILESC#CCN(CC1CC1)S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C11H20N2O2S/c1-5-8-13(9-10-6-7-10)16(14,15)12-11(2,3)4/h1,10,12H,6-9H2,2-4H3
InChIKeyIZBWAFHQYHPFNN-UHFFFAOYSA-N
MW244.36 g/mol
LogP0.96
Rot. Bonds5

About [tert-butylsulfamoyl(prop-2-ynyl)amino]methylcyclopropane

[tert-butylsulfamoyl(prop-2-ynyl)amino]methylcyclopropane (PubChem CID 114812579) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is [tert-butylsulfamoyl(prop-2-ynyl)amino]methylcyclopropane.

Molecular Properties

Compound Name[tert-butylsulfamoyl(prop-2-ynyl)amino]methylcyclopropane
PubChem CID114812579
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name[tert-butylsulfamoyl(prop-2-ynyl)amino]methylcyclopropane
SMILESC#CCN(CC1CC1)S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C11H20N2O2S/c1-5-8-13(9-10-6-7-10)16(14,15)12-11(2,3)4/h1,10,12H,6-9H2,2-4H3
InChIKeyIZBWAFHQYHPFNN-UHFFFAOYSA-N
XLogP0.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
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

[2-methylpropylsulfamoyl(prop-2-ynyl)amino]methylcyclopropane
CID 114816677
N-(cyclopropylmethyl)-N-prop-2-ynylcyclopropanesulfonamide
CID 115556536
N-(cyclopropylmethyl)-N-prop-2-ynylpyrrolidine-1-sulfonamide
CID 115556438
N-(cyclopropylmethyl)-N-prop-2-ynylpiperidine-1-sulfonamide
CID 115556534
N-(cyclopropylmethyl)-5-fluoro-2-methyl-N-prop-2-ynylbenzenesulfonamide
CID 115556481
N-(cyclopropylmethyl)-2,4-dimethyl-N-prop-2-ynylbenzenesulfonamide
CID 113334751
N-(cyclopropylmethyl)-2-propan-2-yloxy-N-prop-2-ynylethanesulfonamide
CID 115556523
N-(cyclopropylmethyl)-N-prop-2-ynylbenzenesulfonamide
CID 80965589
methyl 3-[[cyclopropylmethyl(prop-2-ynyl)sulfamoyl]-methylamino]propanoate
CID 115556499
ethyl 3-[cyclopropylmethyl(prop-2-ynyl)sulfamoyl]propanoate
CID 113334772
2,5-dichloro-N-(cyclopropylmethyl)-N-prop-2-ynylthiophene-3-sulfonamide
CID 113334782
2,4-dibromo-N-(cyclopropylmethyl)-N-prop-2-ynylbenzenesulfonamide
CID 115556480

Frequently Asked Questions

What is the IUPAC name of [tert-butylsulfamoyl(prop-2-ynyl)amino]methylcyclopropane?
The IUPAC name of [tert-butylsulfamoyl(prop-2-ynyl)amino]methylcyclopropane (CID 114812579) is [tert-butylsulfamoyl(prop-2-ynyl)amino]methylcyclopropane.
What is the SMILES notation for [tert-butylsulfamoyl(prop-2-ynyl)amino]methylcyclopropane?
The canonical SMILES for [tert-butylsulfamoyl(prop-2-ynyl)amino]methylcyclopropane is C#CCN(CC1CC1)S(=O)(=O)NC(C)(C)C.
What is the InChIKey of [tert-butylsulfamoyl(prop-2-ynyl)amino]methylcyclopropane?
The InChIKey is IZBWAFHQYHPFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-5-8-13(9-10-6-7-10)16(14,15)12-11(2,3)4/h1,10,12H,6-9H2,2-4H3.
What are the key properties of [tert-butylsulfamoyl(prop-2-ynyl)amino]methylcyclopropane?
[tert-butylsulfamoyl(prop-2-ynyl)amino]methylcyclopropane has a molecular weight of 244.36 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butylsulfamoyl(prop-2-ynyl)amino]methylcyclopropane is sourced from PubChem (CID 114812579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).