N-[(2S)-4-chlorobutan-2-yl]-1-cyclopropylmethanesulfonamide

C8H16ClNO2S — CID 122636519

IUPACN-[(2S)-4-chlorobutan-2-yl]-1-cyclopropylmethanesulfonamide
SMILESC[C@@H](CCCl)NS(=O)(=O)CC1CC1
InChIInChI=1S/C8H16ClNO2S/c1-7(4-5-9)10-13(11,12)6-8-2-3-8/h7-8,10H,2-6H2,1H3/t7-/m0/s1
InChIKeyMEXQWBZTKXUPHR-ZETCQYMHSA-N
MW225.74 g/mol
LogP1.33
Rot. Bonds6

About N-[(2S)-4-chlorobutan-2-yl]-1-cyclopropylmethanesulfonamide

N-[(2S)-4-chlorobutan-2-yl]-1-cyclopropylmethanesulfonamide (PubChem CID 122636519) has the molecular formula C8H16ClNO2S and a molecular weight of 225.74 g/mol. Its IUPAC name is N-[(2S)-4-chlorobutan-2-yl]-1-cyclopropylmethanesulfonamide.

Molecular Properties

Compound NameN-[(2S)-4-chlorobutan-2-yl]-1-cyclopropylmethanesulfonamide
PubChem CID122636519
Molecular FormulaC8H16ClNO2S
Molecular Weight225.74 g/mol
Exact Mass225.06
IUPAC NameN-[(2S)-4-chlorobutan-2-yl]-1-cyclopropylmethanesulfonamide
SMILESC[C@@H](CCCl)NS(=O)(=O)CC1CC1
InChIInChI=1S/C8H16ClNO2S/c1-7(4-5-9)10-13(11,12)6-8-2-3-8/h7-8,10H,2-6H2,1H3/t7-/m0/s1
InChIKeyMEXQWBZTKXUPHR-ZETCQYMHSA-N
XLogP1.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.74
LogP ≤ 51.33
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)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059294
N-(4-chloro-3-methylbutan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 116187382
3-chloro-N-cyclopropylpropane-1-sulfonamide
CID 10035612
3-chloro-N-(2-methylpropyl)propane-1-sulfonamide
CID 10560557
N-cyclopropyl-6-chlorohexanesulfonamide
CID 11010063
5-chloro-N-propan-2-ylpentane-1-sulfonamide
CID 17794165
5-chloro-N-cyclopropylpentane-1-sulfonamide
CID 17794167
9-chloro-N-cyclopropylnonane-1-sulfonamide
CID 22111571
6-chloro-N-propan-2-ylhexane-1-sulfonamide
CID 22111584
N-(3-chloropropyl)-2,2-dimethylpropane-1-sulfonamide
CID 64478007
4-chloro-N-cyclopropylbutane-1-sulfonamide
CID 10465762
3-chloro-N-(4-methylpentan-2-yl)propane-1-sulfonamide
CID 43653847

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-chlorobutan-2-yl]-1-cyclopropylmethanesulfonamide?
The IUPAC name of N-[(2S)-4-chlorobutan-2-yl]-1-cyclopropylmethanesulfonamide (CID 122636519) is N-[(2S)-4-chlorobutan-2-yl]-1-cyclopropylmethanesulfonamide.
What is the SMILES notation for N-[(2S)-4-chlorobutan-2-yl]-1-cyclopropylmethanesulfonamide?
The canonical SMILES for N-[(2S)-4-chlorobutan-2-yl]-1-cyclopropylmethanesulfonamide is C[C@@H](CCCl)NS(=O)(=O)CC1CC1.
What is the InChIKey of N-[(2S)-4-chlorobutan-2-yl]-1-cyclopropylmethanesulfonamide?
The InChIKey is MEXQWBZTKXUPHR-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H16ClNO2S/c1-7(4-5-9)10-13(11,12)6-8-2-3-8/h7-8,10H,2-6H2,1H3/t7-/m0/s1.
What are the key properties of N-[(2S)-4-chlorobutan-2-yl]-1-cyclopropylmethanesulfonamide?
N-[(2S)-4-chlorobutan-2-yl]-1-cyclopropylmethanesulfonamide has a molecular weight of 225.74 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-chlorobutan-2-yl]-1-cyclopropylmethanesulfonamide is sourced from PubChem (CID 122636519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).