2-(cyclopropylmethylamino)-N,N-dimethylethanesulfonamide

C8H18N2O2S — CID 106335897

IUPAC2-(cyclopropylmethylamino)-N,N-dimethylethanesulfonamide
SMILESCN(C)S(=O)(=O)CCNCC1CC1
InChIInChI=1S/C8H18N2O2S/c1-10(2)13(11,12)6-5-9-7-8-3-4-8/h8-9H,3-7H2,1-2H3
InChIKeyWJIAVMRYTXXPJS-UHFFFAOYSA-N
MW206.31 g/mol
LogP-0.12
Rot. Bonds6

About 2-(cyclopropylmethylamino)-N,N-dimethylethanesulfonamide

2-(cyclopropylmethylamino)-N,N-dimethylethanesulfonamide (PubChem CID 106335897) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N,N-dimethylethanesulfonamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N,N-dimethylethanesulfonamide
PubChem CID106335897
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name2-(cyclopropylmethylamino)-N,N-dimethylethanesulfonamide
SMILESCN(C)S(=O)(=O)CCNCC1CC1
InChIInChI=1S/C8H18N2O2S/c1-10(2)13(11,12)6-5-9-7-8-3-4-8/h8-9H,3-7H2,1-2H3
InChIKeyWJIAVMRYTXXPJS-UHFFFAOYSA-N
XLogP-0.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(cyclopropylmethylamino)-N,N-dimethylethanesulfonamide 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

N,N-dimethyl-2-(oxan-4-ylmethylamino)ethanesulfonamide
CID 106335406
N-(cyclopropylmethyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 60867294
N-[2-(dimethylsulfamoyl)ethyl]-2-piperidin-3-ylacetamide
CID 106337529
2-(ethylamino)-N-(4-ethylcyclohexyl)-N-methylethanesulfonamide
CID 54972051
2-[(4-tert-butylcyclohexyl)methylamino]-N-methylethanesulfonamide
CID 102674917
2-(but-3-enylamino)-N,N-dimethylethanesulfonamide
CID 140863709
2-bromo-N-[2-(dimethylsulfamoyl)ethyl]acetamide
CID 106335493
N,N-dimethyl-2-[(4-propylcycloheptyl)amino]ethanesulfonamide
CID 106335972
N-(cyclohexylmethyl)-N'-methyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 79858955
N-[2-(dimethylsulfamoyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 106337483
N-(cyclopentylmethyl)-3-methylsulfonylpropan-1-amine
CID 61342623
N-(cyclobutylmethyl)-3-methylsulfonylpropan-1-amine
CID 63190759

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N,N-dimethylethanesulfonamide?
The IUPAC name of 2-(cyclopropylmethylamino)-N,N-dimethylethanesulfonamide (CID 106335897) is 2-(cyclopropylmethylamino)-N,N-dimethylethanesulfonamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N,N-dimethylethanesulfonamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-N,N-dimethylethanesulfonamide is CN(C)S(=O)(=O)CCNCC1CC1.
What is the InChIKey of 2-(cyclopropylmethylamino)-N,N-dimethylethanesulfonamide?
The InChIKey is WJIAVMRYTXXPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-10(2)13(11,12)6-5-9-7-8-3-4-8/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-(cyclopropylmethylamino)-N,N-dimethylethanesulfonamide?
2-(cyclopropylmethylamino)-N,N-dimethylethanesulfonamide has a molecular weight of 206.31 g/mol, XLogP of -0.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N,N-dimethylethanesulfonamide is sourced from PubChem (CID 106335897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).