3-chloro-N-[4-(dimethylamino)butan-2-yl]-2-methylpropane-1-sulfonamide

C10H23ClN2O2S — CID 79585425

IUPAC3-chloro-N-[4-(dimethylamino)butan-2-yl]-2-methylpropane-1-sulfonamide
SMILESCC(CCl)CS(=O)(=O)NC(C)CCN(C)C
InChIInChI=1S/C10H23ClN2O2S/c1-9(7-11)8-16(14,15)12-10(2)5-6-13(3)4/h9-10,12H,5-8H2,1-4H3
InChIKeyZRHZTBIELFCMPG-UHFFFAOYSA-N
MW270.83 g/mol
LogP1.12
Rot. Bonds8

About 3-chloro-N-[4-(dimethylamino)butan-2-yl]-2-methylpropane-1-sulfonamide

3-chloro-N-[4-(dimethylamino)butan-2-yl]-2-methylpropane-1-sulfonamide (PubChem CID 79585425) has the molecular formula C10H23ClN2O2S and a molecular weight of 270.83 g/mol. Its IUPAC name is 3-chloro-N-[4-(dimethylamino)butan-2-yl]-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-[4-(dimethylamino)butan-2-yl]-2-methylpropane-1-sulfonamide
PubChem CID79585425
Molecular FormulaC10H23ClN2O2S
Molecular Weight270.83 g/mol
Exact Mass270.12
IUPAC Name3-chloro-N-[4-(dimethylamino)butan-2-yl]-2-methylpropane-1-sulfonamide
SMILESCC(CCl)CS(=O)(=O)NC(C)CCN(C)C
InChIInChI=1S/C10H23ClN2O2S/c1-9(7-11)8-16(14,15)12-10(2)5-6-13(3)4/h9-10,12H,5-8H2,1-4H3
InChIKeyZRHZTBIELFCMPG-UHFFFAOYSA-N
XLogP1.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.83
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-(1,3-dihydroxypropan-2-yl)-2-methylpropane-1-sulfonamide
CID 79588967
3-N-(1-ethylsulfonylpropan-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 115900895
3-chloro-2-methyl-N-(1-morpholin-4-ylpropan-2-yl)propane-1-sulfonamide
CID 79586284
N-[4-(dimethylamino)butan-2-yl]-3-(propylamino)propane-1-sulfonamide
CID 106054820
methyl (2S)-2-[(3-chloro-2-methylpropyl)sulfonylamino]propanoate
CID 79586207
N-tert-butyl-3-chloro-2-methylpropane-1-sulfonamide
CID 79579871
3-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylpropane-1-sulfonamide
CID 79585240
3-chloro-N,2-dimethyl-N-pentan-2-ylpropane-1-sulfonamide
CID 79580807
3-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylpropane-1-sulfonamide
CID 79585976
(2S)-3-chloro-2-methylpropane-1-sulfonyl chloride
CID 10375280
3-chloro-2-methyl-N-(2,3,3-trimethylbutyl)propane-1-sulfonamide
CID 83146748
4-(bromomethyl)-N-[4-(dimethylamino)butan-2-yl]benzenesulfonamide
CID 65480832

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(dimethylamino)butan-2-yl]-2-methylpropane-1-sulfonamide?
The IUPAC name of 3-chloro-N-[4-(dimethylamino)butan-2-yl]-2-methylpropane-1-sulfonamide (CID 79585425) is 3-chloro-N-[4-(dimethylamino)butan-2-yl]-2-methylpropane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-[4-(dimethylamino)butan-2-yl]-2-methylpropane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-[4-(dimethylamino)butan-2-yl]-2-methylpropane-1-sulfonamide is CC(CCl)CS(=O)(=O)NC(C)CCN(C)C.
What is the InChIKey of 3-chloro-N-[4-(dimethylamino)butan-2-yl]-2-methylpropane-1-sulfonamide?
The InChIKey is ZRHZTBIELFCMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23ClN2O2S/c1-9(7-11)8-16(14,15)12-10(2)5-6-13(3)4/h9-10,12H,5-8H2,1-4H3.
What are the key properties of 3-chloro-N-[4-(dimethylamino)butan-2-yl]-2-methylpropane-1-sulfonamide?
3-chloro-N-[4-(dimethylamino)butan-2-yl]-2-methylpropane-1-sulfonamide has a molecular weight of 270.83 g/mol, XLogP of 1.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-(dimethylamino)butan-2-yl]-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 79585425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).