N-(3-chloro-2,2-dimethylcyclobutyl)butane-1-sulfonamide

C10H20ClNO2S — CID 114632207

IUPACN-(3-chloro-2,2-dimethylcyclobutyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC1CC(Cl)C1(C)C
InChIInChI=1S/C10H20ClNO2S/c1-4-5-6-15(13,14)12-9-7-8(11)10(9,2)3/h8-9,12H,4-7H2,1-3H3
InChIKeyCCVJJODFMWKIQW-UHFFFAOYSA-N
MW253.79 g/mol
LogP2.11
Rot. Bonds5

About N-(3-chloro-2,2-dimethylcyclobutyl)butane-1-sulfonamide

N-(3-chloro-2,2-dimethylcyclobutyl)butane-1-sulfonamide (PubChem CID 114632207) has the molecular formula C10H20ClNO2S and a molecular weight of 253.79 g/mol. Its IUPAC name is N-(3-chloro-2,2-dimethylcyclobutyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-2,2-dimethylcyclobutyl)butane-1-sulfonamide
PubChem CID114632207
Molecular FormulaC10H20ClNO2S
Molecular Weight253.79 g/mol
Exact Mass253.09
IUPAC NameN-(3-chloro-2,2-dimethylcyclobutyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC1CC(Cl)C1(C)C
InChIInChI=1S/C10H20ClNO2S/c1-4-5-6-15(13,14)12-9-7-8(11)10(9,2)3/h8-9,12H,4-7H2,1-3H3
InChIKeyCCVJJODFMWKIQW-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'}

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Related Compounds

N-(3-chloro-2,2-dimethylcyclobutyl)-2-propan-2-yloxyethanesulfonamide
CID 114632251
N-(3-aminocyclobutyl)butane-1-sulfonamide
CID 43597856
N-[3-(methylamino)cyclobutyl]butane-1-sulfonamide
CID 178076415
3-chloro-N-ethyl-2,2-dimethylcyclobutan-1-amine
CID 114631905
N-(2,2,6,6-tetramethylpiperidin-4-yl)dodecane-1-sulfonamide
CID 20789888
N-(4-chloro-1,1-dioxothiolan-3-yl)butane-1-sulfonamide
CID 115339043
N-cyclopropylhexane-1-sulfonamide
CID 67119181
N-(3-amino-2,2-dimethylcyclobutyl)-3-methylbutane-1-sulfonamide
CID 114632559
N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-methylsulfonylmethanesulfonamide
CID 114631588
N-(2-aminocycloheptyl)butane-1-sulfonamide
CID 63258980
4-chloro-N-(3,3,5,5-tetramethylcyclohexyl)butane-1-sulfonamide
CID 116816465
N-oxidobutane-1-sulfonamide
CID 141093832

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2,2-dimethylcyclobutyl)butane-1-sulfonamide?
The IUPAC name of N-(3-chloro-2,2-dimethylcyclobutyl)butane-1-sulfonamide (CID 114632207) is N-(3-chloro-2,2-dimethylcyclobutyl)butane-1-sulfonamide.
What is the SMILES notation for N-(3-chloro-2,2-dimethylcyclobutyl)butane-1-sulfonamide?
The canonical SMILES for N-(3-chloro-2,2-dimethylcyclobutyl)butane-1-sulfonamide is CCCCS(=O)(=O)NC1CC(Cl)C1(C)C.
What is the InChIKey of N-(3-chloro-2,2-dimethylcyclobutyl)butane-1-sulfonamide?
The InChIKey is CCVJJODFMWKIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO2S/c1-4-5-6-15(13,14)12-9-7-8(11)10(9,2)3/h8-9,12H,4-7H2,1-3H3.
What are the key properties of N-(3-chloro-2,2-dimethylcyclobutyl)butane-1-sulfonamide?
N-(3-chloro-2,2-dimethylcyclobutyl)butane-1-sulfonamide 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-(3-chloro-2,2-dimethylcyclobutyl)butane-1-sulfonamide is sourced from PubChem (CID 114632207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).