(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexane-1-sulfonyl chloride

C10H19ClO2S — CID 155973554

IUPAC(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexane-1-sulfonyl chloride
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1S(=O)(=O)Cl
InChIInChI=1S/C10H19ClO2S/c1-7(2)9-5-4-8(3)6-10(9)14(11,12)13/h7-10H,4-6H2,1-3H3/t8-,9+,10-/m1/s1
InChIKeyUISNFRGVVCUVAH-KXUCPTDWSA-N
MW238.78 g/mol
LogP3.02
Rot. Bonds2

About (1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexane-1-sulfonyl chloride

(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexane-1-sulfonyl chloride (PubChem CID 155973554) has the molecular formula C10H19ClO2S and a molecular weight of 238.78 g/mol. Its IUPAC name is (1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexane-1-sulfonyl chloride.

Molecular Properties

Compound Name(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexane-1-sulfonyl chloride
PubChem CID155973554
Molecular FormulaC10H19ClO2S
Molecular Weight238.78 g/mol
Exact Mass238.08
IUPAC Name(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexane-1-sulfonyl chloride
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1S(=O)(=O)Cl
InChIInChI=1S/C10H19ClO2S/c1-7(2)9-5-4-8(3)6-10(9)14(11,12)13/h7-10H,4-6H2,1-3H3/t8-,9+,10-/m1/s1
InChIKeyUISNFRGVVCUVAH-KXUCPTDWSA-N
XLogP3.02
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.78
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexane-1-sulfonic acid
CID 14806226
cis-(1S,2S)-2-propan-2-ylcyclopropane-1-sulfonyl chloride
CID 98092799
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]sulfonylformonitrile
CID 15325099
iodo-dimethyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-λ4-sulfane
CID 130177362
(2S)-4-methyl-1,2-di(propan-2-yl)cyclohexane
CID 169042978
trans-(1R,4S)-4-methyl-2-nitroso-1-propan-2-ylcyclohexane
CID 54349624
(1S,2R,4R)-4-methyl-2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]diselanyl]-1-propan-2-ylcyclohexane
CID 11843260
(1S,2S,4R)-4-methyl-2-[[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]diselanyl]-1-propan-2-ylcyclohexane
CID 11843401
hypochlorous acid;5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 174568794
hexakis[(-)-menthyl]distannane
CID 86177037
4-methyl-N-[methyl-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-oxo-λ6-sulfanylidene]benzenesulfonamide
CID 11728401
(5-methyl-2-propan-2-ylcyclohexyl) chloromethanesulfonate
CID 13159706

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexane-1-sulfonyl chloride?
The IUPAC name of (1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexane-1-sulfonyl chloride (CID 155973554) is (1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexane-1-sulfonyl chloride.
What is the SMILES notation for (1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexane-1-sulfonyl chloride?
The canonical SMILES for (1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexane-1-sulfonyl chloride is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1S(=O)(=O)Cl.
What is the InChIKey of (1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexane-1-sulfonyl chloride?
The InChIKey is UISNFRGVVCUVAH-KXUCPTDWSA-N. The full InChI is InChI=1S/C10H19ClO2S/c1-7(2)9-5-4-8(3)6-10(9)14(11,12)13/h7-10H,4-6H2,1-3H3/t8-,9+,10-/m1/s1.
What are the key properties of (1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexane-1-sulfonyl chloride?
(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexane-1-sulfonyl chloride has a molecular weight of 238.78 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexane-1-sulfonyl chloride is sourced from PubChem (CID 155973554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).