3-chloro-N,2-dimethyl-N-pentan-2-ylpropane-1-sulfonamide

C10H22ClNO2S — CID 79580807

IUPAC3-chloro-N,2-dimethyl-N-pentan-2-ylpropane-1-sulfonamide
SMILESCCCC(C)N(C)S(=O)(=O)CC(C)CCl
InChIInChI=1S/C10H22ClNO2S/c1-5-6-10(3)12(4)15(13,14)8-9(2)7-11/h9-10H,5-8H2,1-4H3
InChIKeyOUSPKYBOJWGNDV-UHFFFAOYSA-N
MW255.81 g/mol
LogP2.31
Rot. Bonds7

About 3-chloro-N,2-dimethyl-N-pentan-2-ylpropane-1-sulfonamide

3-chloro-N,2-dimethyl-N-pentan-2-ylpropane-1-sulfonamide (PubChem CID 79580807) has the molecular formula C10H22ClNO2S and a molecular weight of 255.81 g/mol. Its IUPAC name is 3-chloro-N,2-dimethyl-N-pentan-2-ylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N,2-dimethyl-N-pentan-2-ylpropane-1-sulfonamide
PubChem CID79580807
Molecular FormulaC10H22ClNO2S
Molecular Weight255.81 g/mol
Exact Mass255.11
IUPAC Name3-chloro-N,2-dimethyl-N-pentan-2-ylpropane-1-sulfonamide
SMILESCCCC(C)N(C)S(=O)(=O)CC(C)CCl
InChIInChI=1S/C10H22ClNO2S/c1-5-6-10(3)12(4)15(13,14)8-9(2)7-11/h9-10H,5-8H2,1-4H3
InChIKeyOUSPKYBOJWGNDV-UHFFFAOYSA-N
XLogP2.31
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.81
LogP ≤ 52.31
H-Bond Donors ≤ 50
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-(1-methoxypropan-2-yl)-N,2-dimethylpropane-1-sulfonamide
CID 79585562
N-(1-aminopropan-2-yl)-N,2-dimethylpentane-1-sulfonamide;hydrochloride
CID 119982739
3-chloro-N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)propane-1-sulfonamide
CID 112663369
3-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-2-methylpropane-1-sulfonamide
CID 79585384
(2S)-3-chloro-2-methylpropane-1-sulfonyl chloride
CID 10375280
3-chloro-N,2-dimethyl-N-phenylpropane-1-sulfonamide
CID 79580450
3-chloro-N,2-dimethyl-N-(2-propan-2-yloxyethyl)propane-1-sulfonamide
CID 81061526
3-chloro-2-methyl-N,N-bis(prop-2-enyl)propane-1-sulfonamide
CID 79580276
2-[butyl-(3-chloro-2-methylpropyl)sulfonylamino]acetamide
CID 79586100
3-chloro-2-methyl-N-propan-2-yl-N-prop-2-enylpropane-1-sulfonamide
CID 79585745
methyl 3-[(3-chloro-2-methylpropyl)sulfonyl-methylamino]-2-methylpropanoate
CID 79586368
3-chloro-N-cyclohexyl-N-ethyl-2-methylpropane-1-sulfonamide
CID 79585815

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,2-dimethyl-N-pentan-2-ylpropane-1-sulfonamide?
The IUPAC name of 3-chloro-N,2-dimethyl-N-pentan-2-ylpropane-1-sulfonamide (CID 79580807) is 3-chloro-N,2-dimethyl-N-pentan-2-ylpropane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N,2-dimethyl-N-pentan-2-ylpropane-1-sulfonamide?
The canonical SMILES for 3-chloro-N,2-dimethyl-N-pentan-2-ylpropane-1-sulfonamide is CCCC(C)N(C)S(=O)(=O)CC(C)CCl.
What is the InChIKey of 3-chloro-N,2-dimethyl-N-pentan-2-ylpropane-1-sulfonamide?
The InChIKey is OUSPKYBOJWGNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22ClNO2S/c1-5-6-10(3)12(4)15(13,14)8-9(2)7-11/h9-10H,5-8H2,1-4H3.
What are the key properties of 3-chloro-N,2-dimethyl-N-pentan-2-ylpropane-1-sulfonamide?
3-chloro-N,2-dimethyl-N-pentan-2-ylpropane-1-sulfonamide has a molecular weight of 255.81 g/mol, XLogP of 2.31, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,2-dimethyl-N-pentan-2-ylpropane-1-sulfonamide is sourced from PubChem (CID 79580807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).