3-[methyl(propan-2-yl)amino]propane-1-sulfonyl chloride

C7H16ClNO2S — CID 112594598

IUPAC3-[methyl(propan-2-yl)amino]propane-1-sulfonyl chloride
SMILESCC(C)N(C)CCCS(=O)(=O)Cl
InChIInChI=1S/C7H16ClNO2S/c1-7(2)9(3)5-4-6-12(8,10)11/h7H,4-6H2,1-3H3
InChIKeyHLLCUEFXWJWWJK-UHFFFAOYSA-N
MW213.73 g/mol
LogP1.29
Rot. Bonds5

About 3-[methyl(propan-2-yl)amino]propane-1-sulfonyl chloride

3-[methyl(propan-2-yl)amino]propane-1-sulfonyl chloride (PubChem CID 112594598) has the molecular formula C7H16ClNO2S and a molecular weight of 213.73 g/mol. Its IUPAC name is 3-[methyl(propan-2-yl)amino]propane-1-sulfonyl chloride.

Molecular Properties

Compound Name3-[methyl(propan-2-yl)amino]propane-1-sulfonyl chloride
PubChem CID112594598
Molecular FormulaC7H16ClNO2S
Molecular Weight213.73 g/mol
Exact Mass213.06
IUPAC Name3-[methyl(propan-2-yl)amino]propane-1-sulfonyl chloride
SMILESCC(C)N(C)CCCS(=O)(=O)Cl
InChIInChI=1S/C7H16ClNO2S/c1-7(2)9(3)5-4-6-12(8,10)11/h7H,4-6H2,1-3H3
InChIKeyHLLCUEFXWJWWJK-UHFFFAOYSA-N
XLogP1.29
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.73
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(dipentylamino)propane-1-sulfonyl chloride
CID 112594628
2-[3-[methyl(propan-2-yl)amino]propylamino]ethanesulfonamide
CID 106044314
N-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]thiohydroxylamine
CID 167101459
3-bromo-N-methyl-N-propan-2-ylpropan-1-amine
CID 61287527
2-(dimethylamino)ethanesulfonyl chloride;hydrochloride
CID 14219658
7-[methyl(propan-2-yl)amino]heptan-2-one
CID 166554593
4-dimethylindiganyl-N-methyl-N-propan-2-ylbutan-1-amine
CID 171588564
1-chloro-N-[4-[methyl(propan-2-yl)amino]butyl]methanesulfonamide
CID 63664575
3-[ethyl(2-methoxyethyl)amino]propane-1-sulfonyl chloride
CID 112594673
N-[4-[methyl(propan-2-yl)amino]butyl]methanesulfonamide
CID 60602606
N-methyl-N-propan-2-yltridecan-1-amine
CID 88970420
N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 16748474

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(propan-2-yl)amino]propane-1-sulfonyl chloride?
The IUPAC name of 3-[methyl(propan-2-yl)amino]propane-1-sulfonyl chloride (CID 112594598) is 3-[methyl(propan-2-yl)amino]propane-1-sulfonyl chloride.
What is the SMILES notation for 3-[methyl(propan-2-yl)amino]propane-1-sulfonyl chloride?
The canonical SMILES for 3-[methyl(propan-2-yl)amino]propane-1-sulfonyl chloride is CC(C)N(C)CCCS(=O)(=O)Cl.
What is the InChIKey of 3-[methyl(propan-2-yl)amino]propane-1-sulfonyl chloride?
The InChIKey is HLLCUEFXWJWWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16ClNO2S/c1-7(2)9(3)5-4-6-12(8,10)11/h7H,4-6H2,1-3H3.
What are the key properties of 3-[methyl(propan-2-yl)amino]propane-1-sulfonyl chloride?
3-[methyl(propan-2-yl)amino]propane-1-sulfonyl chloride has a molecular weight of 213.73 g/mol, XLogP of 1.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(propan-2-yl)amino]propane-1-sulfonyl chloride is sourced from PubChem (CID 112594598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).