N-(1-chloro-3-methylbutan-2-yl)-2,2-dimethylpropane-1-sulfonamide

C10H22ClNO2S — CID 79267130

IUPACN-(1-chloro-3-methylbutan-2-yl)-2,2-dimethylpropane-1-sulfonamide
SMILESCC(C)C(CCl)NS(=O)(=O)CC(C)(C)C
InChIInChI=1S/C10H22ClNO2S/c1-8(2)9(6-11)12-15(13,14)7-10(3,4)5/h8-9,12H,6-7H2,1-5H3
InChIKeySMTBVAHJFKRYHF-UHFFFAOYSA-N
MW255.81 g/mol
LogP2.22
Rot. Bonds5

About N-(1-chloro-3-methylbutan-2-yl)-2,2-dimethylpropane-1-sulfonamide

N-(1-chloro-3-methylbutan-2-yl)-2,2-dimethylpropane-1-sulfonamide (PubChem CID 79267130) has the molecular formula C10H22ClNO2S and a molecular weight of 255.81 g/mol. Its IUPAC name is N-(1-chloro-3-methylbutan-2-yl)-2,2-dimethylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(1-chloro-3-methylbutan-2-yl)-2,2-dimethylpropane-1-sulfonamide
PubChem CID79267130
Molecular FormulaC10H22ClNO2S
Molecular Weight255.81 g/mol
Exact Mass255.11
IUPAC NameN-(1-chloro-3-methylbutan-2-yl)-2,2-dimethylpropane-1-sulfonamide
SMILESCC(C)C(CCl)NS(=O)(=O)CC(C)(C)C
InChIInChI=1S/C10H22ClNO2S/c1-8(2)9(6-11)12-15(13,14)7-10(3,4)5/h8-9,12H,6-7H2,1-5H3
InChIKeySMTBVAHJFKRYHF-UHFFFAOYSA-N
XLogP2.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.81
LogP ≤ 52.22
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

N-(1-chloro-3-methylbutan-2-yl)-2,4-dimethylbenzenesulfonamide
CID 79268006
N-(1-chloro-3-methylbutan-2-yl)-2-methyl-2-methylsulfonylpropanamide
CID 114305435
N-(1-chloro-3-methylbutan-2-yl)cyclohexanesulfonamide
CID 79267554
1-chloro-N-[1-(dimethylamino)-3-methylbutan-2-yl]methanesulfonamide
CID 63663753
N-(1-hydroxy-4-methylpentan-3-yl)-3,3-dimethylbutane-1-sulfonamide
CID 111466258
N-(1-chloro-3-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102693971
N-tert-butyl-3-chloro-2-methylpropane-1-sulfonamide
CID 79579871
N-(1-chloro-3-methylbutan-2-yl)morpholine-4-sulfonamide
CID 79267830
N-(2-methylpentan-3-yl)propane-1-sulfonamide
CID 61481422
2,2-dimethyl-N-propan-2-ylpropane-1-sulfonamide;N-propan-2-ylbut-2-yne-1-sulfonamide;N-propan-2-ylmethanesulfonamide
CID 167548657
5-(2,2-dimethylpropylsulfonylamino)hexanoic acid
CID 82854198
N-(1-aminohexan-2-yl)-2,2-dimethylpropane-1-sulfonamide
CID 80696971

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-3-methylbutan-2-yl)-2,2-dimethylpropane-1-sulfonamide?
The IUPAC name of N-(1-chloro-3-methylbutan-2-yl)-2,2-dimethylpropane-1-sulfonamide (CID 79267130) is N-(1-chloro-3-methylbutan-2-yl)-2,2-dimethylpropane-1-sulfonamide.
What is the SMILES notation for N-(1-chloro-3-methylbutan-2-yl)-2,2-dimethylpropane-1-sulfonamide?
The canonical SMILES for N-(1-chloro-3-methylbutan-2-yl)-2,2-dimethylpropane-1-sulfonamide is CC(C)C(CCl)NS(=O)(=O)CC(C)(C)C.
What is the InChIKey of N-(1-chloro-3-methylbutan-2-yl)-2,2-dimethylpropane-1-sulfonamide?
The InChIKey is SMTBVAHJFKRYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22ClNO2S/c1-8(2)9(6-11)12-15(13,14)7-10(3,4)5/h8-9,12H,6-7H2,1-5H3.
What are the key properties of N-(1-chloro-3-methylbutan-2-yl)-2,2-dimethylpropane-1-sulfonamide?
N-(1-chloro-3-methylbutan-2-yl)-2,2-dimethylpropane-1-sulfonamide has a molecular weight of 255.81 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-3-methylbutan-2-yl)-2,2-dimethylpropane-1-sulfonamide is sourced from PubChem (CID 79267130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).