N-(1-chloro-4-methylpentan-2-yl)-2-methylpropane-1-sulfonamide

C10H22ClNO2S — CID 65030984

IUPACN-(1-chloro-4-methylpentan-2-yl)-2-methylpropane-1-sulfonamide
SMILESCC(C)CC(CCl)NS(=O)(=O)CC(C)C
InChIInChI=1S/C10H22ClNO2S/c1-8(2)5-10(6-11)12-15(13,14)7-9(3)4/h8-10,12H,5-7H2,1-4H3
InChIKeyGTHAOVJDNAGAQE-UHFFFAOYSA-N
MW255.81 g/mol
LogP2.22
Rot. Bonds7

About N-(1-chloro-4-methylpentan-2-yl)-2-methylpropane-1-sulfonamide

N-(1-chloro-4-methylpentan-2-yl)-2-methylpropane-1-sulfonamide (PubChem CID 65030984) has the molecular formula C10H22ClNO2S and a molecular weight of 255.81 g/mol. Its IUPAC name is N-(1-chloro-4-methylpentan-2-yl)-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(1-chloro-4-methylpentan-2-yl)-2-methylpropane-1-sulfonamide
PubChem CID65030984
Molecular FormulaC10H22ClNO2S
Molecular Weight255.81 g/mol
Exact Mass255.11
IUPAC NameN-(1-chloro-4-methylpentan-2-yl)-2-methylpropane-1-sulfonamide
SMILESCC(C)CC(CCl)NS(=O)(=O)CC(C)C
InChIInChI=1S/C10H22ClNO2S/c1-8(2)5-10(6-11)12-15(13,14)7-9(3)4/h8-10,12H,5-7H2,1-4H3
InChIKeyGTHAOVJDNAGAQE-UHFFFAOYSA-N
XLogP2.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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-4-methylpentan-2-yl)butane-1-sulfonamide
CID 65031040
N-(1-chloro-4-methylpentan-2-yl)-2-methoxyethanesulfonamide
CID 65030939
N-[(2R)-1-hydroxybutan-2-yl]-2-methylpropane-1-sulfonamide
CID 103918485
N-[(2S)-1-hydroxybutan-2-yl]-2-methylpropane-1-sulfonamide
CID 104981900
3-chloro-N-(1,3-dihydroxypropan-2-yl)-2-methylpropane-1-sulfonamide
CID 79588967
1-chloro-4-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-2-amine
CID 106731016
ethyl N-[(1-chloro-4-methylpentan-2-yl)sulfamoyl]carbamate
CID 114466377
1-chloro-4-methyl-N-propan-2-ylpentan-2-amine
CID 65025885
N-[(2R)-1-hydroxypropan-2-yl]-2-methylpropane-1-sulfonamide
CID 79027401
N-(1-chlorobutan-2-yl)propane-1-sulfonamide
CID 65033874
(2R)-2-(2-methylpropylsulfonylamino)propanoic acid
CID 78995773
N-(1-chloro-4-methylpentan-2-yl)-2-methylpiperidine-1-sulfonamide
CID 65030729

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-4-methylpentan-2-yl)-2-methylpropane-1-sulfonamide?
The IUPAC name of N-(1-chloro-4-methylpentan-2-yl)-2-methylpropane-1-sulfonamide (CID 65030984) is N-(1-chloro-4-methylpentan-2-yl)-2-methylpropane-1-sulfonamide.
What is the SMILES notation for N-(1-chloro-4-methylpentan-2-yl)-2-methylpropane-1-sulfonamide?
The canonical SMILES for N-(1-chloro-4-methylpentan-2-yl)-2-methylpropane-1-sulfonamide is CC(C)CC(CCl)NS(=O)(=O)CC(C)C.
What is the InChIKey of N-(1-chloro-4-methylpentan-2-yl)-2-methylpropane-1-sulfonamide?
The InChIKey is GTHAOVJDNAGAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22ClNO2S/c1-8(2)5-10(6-11)12-15(13,14)7-9(3)4/h8-10,12H,5-7H2,1-4H3.
What are the key properties of N-(1-chloro-4-methylpentan-2-yl)-2-methylpropane-1-sulfonamide?
N-(1-chloro-4-methylpentan-2-yl)-2-methylpropane-1-sulfonamide has a molecular weight of 255.81 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-4-methylpentan-2-yl)-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 65030984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).