N-(cyclopropylmethyl)-2-propan-2-yloxy-N-prop-2-ynylethanesulfonamide

C12H21NO3S — CID 115556523

IUPACN-(cyclopropylmethyl)-2-propan-2-yloxy-N-prop-2-ynylethanesulfonamide
SMILESC#CCN(CC1CC1)S(=O)(=O)CCOC(C)C
InChIInChI=1S/C12H21NO3S/c1-4-7-13(10-12-5-6-12)17(14,15)9-8-16-11(2)3/h1,11-12H,5-10H2,2-3H3
InChIKeyLIMHEUGNMBOMLB-UHFFFAOYSA-N
MW259.37 g/mol
LogP1.09
Rot. Bonds8

About N-(cyclopropylmethyl)-2-propan-2-yloxy-N-prop-2-ynylethanesulfonamide

N-(cyclopropylmethyl)-2-propan-2-yloxy-N-prop-2-ynylethanesulfonamide (PubChem CID 115556523) has the molecular formula C12H21NO3S and a molecular weight of 259.37 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-propan-2-yloxy-N-prop-2-ynylethanesulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-propan-2-yloxy-N-prop-2-ynylethanesulfonamide
PubChem CID115556523
Molecular FormulaC12H21NO3S
Molecular Weight259.37 g/mol
Exact Mass259.12
IUPAC NameN-(cyclopropylmethyl)-2-propan-2-yloxy-N-prop-2-ynylethanesulfonamide
SMILESC#CCN(CC1CC1)S(=O)(=O)CCOC(C)C
InChIInChI=1S/C12H21NO3S/c1-4-7-13(10-12-5-6-12)17(14,15)9-8-16-11(2)3/h1,11-12H,5-10H2,2-3H3
InChIKeyLIMHEUGNMBOMLB-UHFFFAOYSA-N
XLogP1.09
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(cyclopropylmethyl)-2-propan-2-yloxy-N-prop-2-ynylethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-propan-2-yloxyethylsulfonyl(prop-2-ynyl)amino]acetic acid
CID 79594370
ethyl 3-[cyclopropylmethyl(prop-2-ynyl)sulfamoyl]propanoate
CID 113334772
[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
[tert-butylsulfamoyl(prop-2-ynyl)amino]methylcyclopropane
CID 114812579
N-(cyclopropylmethyl)-2-(4-fluorophenyl)-2-methoxy-N-prop-2-ynylethanesulfonamide
CID 167964826
N-(cyanomethyl)-N-propan-2-yl-2-propan-2-yloxyethanesulfonamide
CID 79594210
N-(cyclopropylmethyl)-N-prop-2-ynylbenzenesulfonamide
CID 80965589
N-(2-aminoethyl)-N-butyl-2-propan-2-yloxyethanesulfonamide
CID 79600959
methyl 3-[[cyclopropylmethyl(prop-2-ynyl)sulfamoyl]-methylamino]propanoate
CID 115556499

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-propan-2-yloxy-N-prop-2-ynylethanesulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-2-propan-2-yloxy-N-prop-2-ynylethanesulfonamide (CID 115556523) is N-(cyclopropylmethyl)-2-propan-2-yloxy-N-prop-2-ynylethanesulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-propan-2-yloxy-N-prop-2-ynylethanesulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-propan-2-yloxy-N-prop-2-ynylethanesulfonamide is C#CCN(CC1CC1)S(=O)(=O)CCOC(C)C.
What is the InChIKey of N-(cyclopropylmethyl)-2-propan-2-yloxy-N-prop-2-ynylethanesulfonamide?
The InChIKey is LIMHEUGNMBOMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3S/c1-4-7-13(10-12-5-6-12)17(14,15)9-8-16-11(2)3/h1,11-12H,5-10H2,2-3H3.
What are the key properties of N-(cyclopropylmethyl)-2-propan-2-yloxy-N-prop-2-ynylethanesulfonamide?
N-(cyclopropylmethyl)-2-propan-2-yloxy-N-prop-2-ynylethanesulfonamide has a molecular weight of 259.37 g/mol, XLogP of 1.09, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-propan-2-yloxy-N-prop-2-ynylethanesulfonamide is sourced from PubChem (CID 115556523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).