N-(1-chloro-4,4-dimethylpentan-3-yl)cyclopropanesulfonamide

C10H20ClNO2S — CID 106356504

IUPACN-(1-chloro-4,4-dimethylpentan-3-yl)cyclopropanesulfonamide
SMILESCC(C)(C)C(CCCl)NS(=O)(=O)C1CC1
InChIInChI=1S/C10H20ClNO2S/c1-10(2,3)9(6-7-11)12-15(13,14)8-4-5-8/h8-9,12H,4-7H2,1-3H3
InChIKeyJJNIBBCAEYAKPG-UHFFFAOYSA-N
MW253.79 g/mol
LogP2.11
Rot. Bonds5

About N-(1-chloro-4,4-dimethylpentan-3-yl)cyclopropanesulfonamide

N-(1-chloro-4,4-dimethylpentan-3-yl)cyclopropanesulfonamide (PubChem CID 106356504) has the molecular formula C10H20ClNO2S and a molecular weight of 253.79 g/mol. Its IUPAC name is N-(1-chloro-4,4-dimethylpentan-3-yl)cyclopropanesulfonamide.

Molecular Properties

Compound NameN-(1-chloro-4,4-dimethylpentan-3-yl)cyclopropanesulfonamide
PubChem CID106356504
Molecular FormulaC10H20ClNO2S
Molecular Weight253.79 g/mol
Exact Mass253.09
IUPAC NameN-(1-chloro-4,4-dimethylpentan-3-yl)cyclopropanesulfonamide
SMILESCC(C)(C)C(CCCl)NS(=O)(=O)C1CC1
InChIInChI=1S/C10H20ClNO2S/c1-10(2,3)9(6-7-11)12-15(13,14)8-4-5-8/h8-9,12H,4-7H2,1-3H3
InChIKeyJJNIBBCAEYAKPG-UHFFFAOYSA-N
XLogP2.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.79
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(1-chloro-4,4-dimethylpentan-3-yl)cyclopropanesulfonamide 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-(1-chloro-4,4-dimethylpentan-3-yl)-3-methylpiperidine-1-sulfonamide
CID 106356586
N-(1-chloro-4,4-dimethylpentan-3-yl)-3-methoxypropane-1-sulfonamide
CID 106356510
N-(4-chloro-2-methylbutyl)cyclopentanesulfonamide
CID 105361729
4-bromo-N-(1-chloro-4,4-dimethylpentan-3-yl)benzenesulfonamide
CID 114178076
N-(1-chloro-3-methylbutan-2-yl)cyclohexanesulfonamide
CID 79267554
N-(4-bromobutan-2-yl)cyclopropanesulfonamide
CID 83180222
2,5-dichloro-N-(1-chloro-4,4-dimethylpentan-3-yl)benzenesulfonamide
CID 106356551
N-(1-chloro-4,4-dimethylpentan-3-yl)thiolane-2-carboxamide
CID 106355814
N-(1-chloro-4,4-dimethylpentan-3-yl)bicyclo[3.1.0]hexane-6-carboxamide
CID 106355594
N-(4-chloro-2-methylbutyl)-1,1-dioxothiane-4-sulfonamide
CID 66091585
N-(1-chloro-4,4-dimethylpentan-3-yl)-3-cyclopentylpropanamide
CID 106355641
N-(1-chloro-4,4-dimethylpentan-3-yl)-4,4-difluorocyclohexane-1-carboxamide
CID 114177886

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-4,4-dimethylpentan-3-yl)cyclopropanesulfonamide?
The IUPAC name of N-(1-chloro-4,4-dimethylpentan-3-yl)cyclopropanesulfonamide (CID 106356504) is N-(1-chloro-4,4-dimethylpentan-3-yl)cyclopropanesulfonamide.
What is the SMILES notation for N-(1-chloro-4,4-dimethylpentan-3-yl)cyclopropanesulfonamide?
The canonical SMILES for N-(1-chloro-4,4-dimethylpentan-3-yl)cyclopropanesulfonamide is CC(C)(C)C(CCCl)NS(=O)(=O)C1CC1.
What is the InChIKey of N-(1-chloro-4,4-dimethylpentan-3-yl)cyclopropanesulfonamide?
The InChIKey is JJNIBBCAEYAKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO2S/c1-10(2,3)9(6-7-11)12-15(13,14)8-4-5-8/h8-9,12H,4-7H2,1-3H3.
What are the key properties of N-(1-chloro-4,4-dimethylpentan-3-yl)cyclopropanesulfonamide?
N-(1-chloro-4,4-dimethylpentan-3-yl)cyclopropanesulfonamide has a molecular weight of 253.79 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-4,4-dimethylpentan-3-yl)cyclopropanesulfonamide is sourced from PubChem (CID 106356504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).