3-chloro-N-(3,3-dimethylcyclopentyl)-2-methylpropane-1-sulfonamide

C11H22ClNO2S — CID 114550633

IUPAC3-chloro-N-(3,3-dimethylcyclopentyl)-2-methylpropane-1-sulfonamide
SMILESCC(CCl)CS(=O)(=O)NC1CCC(C)(C)C1
InChIInChI=1S/C11H22ClNO2S/c1-9(7-12)8-16(14,15)13-10-4-5-11(2,3)6-10/h9-10,13H,4-8H2,1-3H3
InChIKeyZROYEJWAXKADJW-UHFFFAOYSA-N
MW267.82 g/mol
LogP2.36
Rot. Bonds5

About 3-chloro-N-(3,3-dimethylcyclopentyl)-2-methylpropane-1-sulfonamide

3-chloro-N-(3,3-dimethylcyclopentyl)-2-methylpropane-1-sulfonamide (PubChem CID 114550633) has the molecular formula C11H22ClNO2S and a molecular weight of 267.82 g/mol. Its IUPAC name is 3-chloro-N-(3,3-dimethylcyclopentyl)-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-(3,3-dimethylcyclopentyl)-2-methylpropane-1-sulfonamide
PubChem CID114550633
Molecular FormulaC11H22ClNO2S
Molecular Weight267.82 g/mol
Exact Mass267.11
IUPAC Name3-chloro-N-(3,3-dimethylcyclopentyl)-2-methylpropane-1-sulfonamide
SMILESCC(CCl)CS(=O)(=O)NC1CCC(C)(C)C1
InChIInChI=1S/C11H22ClNO2S/c1-9(7-12)8-16(14,15)13-10-4-5-11(2,3)6-10/h9-10,13H,4-8H2,1-3H3
InChIKeyZROYEJWAXKADJW-UHFFFAOYSA-N
XLogP2.36
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.82
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-(4-hydroxycyclohexyl)-2-methylpropane-1-sulfonamide
CID 79586087
3-chloro-2-methyl-N-(1-methylsulfonylpiperidin-4-yl)propane-1-sulfonamide
CID 79586175
N-(3,3-dimethylcyclopentyl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 114552097
3,3-dimethyl-N-(2-methylpropylsulfamoyl)cyclopentan-1-amine
CID 114814941
N-(3,3-dimethylcyclopentyl)-2-(ethylamino)ethanesulfonamide
CID 114548169
N-(3,3-dimethylcyclopentyl)-3-methoxypropane-1-sulfonamide
CID 115881104
3-chloro-2-methyl-N-(1-methylpiperidin-3-yl)propane-1-sulfonamide
CID 79585064
3-chloro-N-(2,3-dihydro-1H-inden-2-yl)-2-methylpropane-1-sulfonamide
CID 107854554
methyl 4-[(3,3-dimethylcyclopentyl)sulfamoyl]butanoate
CID 115881165
N-(3,3-dimethylcyclopentyl)-4-(ethylamino)butane-1-sulfonamide
CID 114552211
3-(dipropylsulfamoylamino)-1,1-dimethylcyclopentane
CID 115881153
N-(1-adamantylmethyl)-3-chloro-2-methylpropane-1-sulfonamide
CID 79586166

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3,3-dimethylcyclopentyl)-2-methylpropane-1-sulfonamide?
The IUPAC name of 3-chloro-N-(3,3-dimethylcyclopentyl)-2-methylpropane-1-sulfonamide (CID 114550633) is 3-chloro-N-(3,3-dimethylcyclopentyl)-2-methylpropane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-(3,3-dimethylcyclopentyl)-2-methylpropane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-(3,3-dimethylcyclopentyl)-2-methylpropane-1-sulfonamide is CC(CCl)CS(=O)(=O)NC1CCC(C)(C)C1.
What is the InChIKey of 3-chloro-N-(3,3-dimethylcyclopentyl)-2-methylpropane-1-sulfonamide?
The InChIKey is ZROYEJWAXKADJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO2S/c1-9(7-12)8-16(14,15)13-10-4-5-11(2,3)6-10/h9-10,13H,4-8H2,1-3H3.
What are the key properties of 3-chloro-N-(3,3-dimethylcyclopentyl)-2-methylpropane-1-sulfonamide?
3-chloro-N-(3,3-dimethylcyclopentyl)-2-methylpropane-1-sulfonamide has a molecular weight of 267.82 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3,3-dimethylcyclopentyl)-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 114550633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).