1-(3,3-dimethylbutyl)cyclopropane-1-sulfonyl chloride

C9H17ClO2S — CID 165490509

IUPAC1-(3,3-dimethylbutyl)cyclopropane-1-sulfonyl chloride
SMILESCC(C)(C)CCC1(S(=O)(=O)Cl)CC1
InChIInChI=1S/C9H17ClO2S/c1-8(2,3)4-5-9(6-7-9)13(10,11)12/h4-7H2,1-3H3
InChIKeyJCRYRPXSLRFAKO-UHFFFAOYSA-N
MW224.75 g/mol
LogP2.91
Rot. Bonds3

About 1-(3,3-dimethylbutyl)cyclopropane-1-sulfonyl chloride

1-(3,3-dimethylbutyl)cyclopropane-1-sulfonyl chloride (PubChem CID 165490509) has the molecular formula C9H17ClO2S and a molecular weight of 224.75 g/mol. Its IUPAC name is 1-(3,3-dimethylbutyl)cyclopropane-1-sulfonyl chloride.

Molecular Properties

Compound Name1-(3,3-dimethylbutyl)cyclopropane-1-sulfonyl chloride
PubChem CID165490509
Molecular FormulaC9H17ClO2S
Molecular Weight224.75 g/mol
Exact Mass224.06
IUPAC Name1-(3,3-dimethylbutyl)cyclopropane-1-sulfonyl chloride
SMILESCC(C)(C)CCC1(S(=O)(=O)Cl)CC1
InChIInChI=1S/C9H17ClO2S/c1-8(2,3)4-5-9(6-7-9)13(10,11)12/h4-7H2,1-3H3
InChIKeyJCRYRPXSLRFAKO-UHFFFAOYSA-N
XLogP2.91
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.75
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,3-dimethylbutoxymethyl)cyclopropane-1-sulfonyl chloride
CID 165495326
1-[2-[methyl(methylsulfonyl)amino]ethyl]cyclopropane-1-sulfonyl chloride
CID 165490337
1-(6-methylheptyl)cyclopropane-1-sulfonyl chloride
CID 165495714
1-(5-fluoropentyl)cyclopropane-1-sulfonyl chloride
CID 165496800
1-[(E)-but-2-enyl]cyclopropane-1-sulfonyl chloride
CID 131251183
1-(3,3-dimethylbutyl)cyclopropane-1-carbaldehyde
CID 131231052
1-(chloromethyl)-1-(3,3-dimethylbutyl)cyclobutane
CID 66035776
4-(3,3-dimethylbutyl)oxan-4-amine
CID 63220278
1-(3,3-dimethylbutyl)-N-methylcyclopropan-1-amine
CID 83682072
1-(cyclohexylmethyl)cyclopropane-1-sulfonyl chloride
CID 165490471
1-(2-hydroxy-3-methoxypropyl)cyclopropane-1-sulfonyl chloride
CID 165490528
1-(3,3-dimethylbutyl)cycloheptan-1-amine
CID 62622521

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutyl)cyclopropane-1-sulfonyl chloride?
The IUPAC name of 1-(3,3-dimethylbutyl)cyclopropane-1-sulfonyl chloride (CID 165490509) is 1-(3,3-dimethylbutyl)cyclopropane-1-sulfonyl chloride.
What is the SMILES notation for 1-(3,3-dimethylbutyl)cyclopropane-1-sulfonyl chloride?
The canonical SMILES for 1-(3,3-dimethylbutyl)cyclopropane-1-sulfonyl chloride is CC(C)(C)CCC1(S(=O)(=O)Cl)CC1.
What is the InChIKey of 1-(3,3-dimethylbutyl)cyclopropane-1-sulfonyl chloride?
The InChIKey is JCRYRPXSLRFAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClO2S/c1-8(2,3)4-5-9(6-7-9)13(10,11)12/h4-7H2,1-3H3.
What are the key properties of 1-(3,3-dimethylbutyl)cyclopropane-1-sulfonyl chloride?
1-(3,3-dimethylbutyl)cyclopropane-1-sulfonyl chloride has a molecular weight of 224.75 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutyl)cyclopropane-1-sulfonyl chloride is sourced from PubChem (CID 165490509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).