(Z)-[(1R,4S)-3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene]methanesulfonyl chloride

C10H15ClO2S — CID 55279455

IUPAC(Z)-[(1R,4S)-3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene]methanesulfonyl chloride
SMILESCC1(C)/C(=C\S(=O)(=O)Cl)[C@@H]2CC[C@H]1C2
InChIInChI=1S/C10H15ClO2S/c1-10(2)8-4-3-7(5-8)9(10)6-14(11,12)13/h6-8H,3-5H2,1-2H3/b9-6-/t7-,8+/m1/s1
InChIKeyLWIALFBBKBEQKE-JESIJGHFSA-N
MW234.75 g/mol
LogP2.89
Rot. Bonds1

About (Z)-[(1R,4S)-3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene]methanesulfonyl chloride

(Z)-[(1R,4S)-3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene]methanesulfonyl chloride (PubChem CID 55279455) has the molecular formula C10H15ClO2S and a molecular weight of 234.75 g/mol. Its IUPAC name is (Z)-[(1R,4S)-3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene]methanesulfonyl chloride.

Molecular Properties

Compound Name(Z)-[(1R,4S)-3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene]methanesulfonyl chloride
PubChem CID55279455
Molecular FormulaC10H15ClO2S
Molecular Weight234.75 g/mol
Exact Mass234.05
IUPAC Name(Z)-[(1R,4S)-3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene]methanesulfonyl chloride
SMILESCC1(C)/C(=C\S(=O)(=O)Cl)[C@@H]2CC[C@H]1C2
InChIInChI=1S/C10H15ClO2S/c1-10(2)8-4-3-7(5-8)9(10)6-14(11,12)13/h6-8H,3-5H2,1-2H3/b9-6-/t7-,8+/m1/s1
InChIKeyLWIALFBBKBEQKE-JESIJGHFSA-N
XLogP2.89
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.75
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,3Z,4S)-3-(fluoromethylidene)-2,2-dimethylbicyclo[2.2.1]heptane
CID 98125583
(1R,3E,4R)-3-(fluoromethylidene)-2,2-dimethylbicyclo[2.2.1]heptane
CID 98125587
(2E)-2-[(1S,4S)-3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene]acetate
CID 50937784
(2E)-2-[(1S,4R)-3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene]acetate
CID 7324932
(3Z)-2,2-dimethyl-3-(nitromethylidene)bicyclo[2.2.1]heptane
CID 177403291
(1R,4R)-3,3-dimethylbicyclo[2.2.1]heptan-2-one
CID 98049650
methyl 2-[(1S,4R)-3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene]acetate
CID 162953192
[(Z)-(3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene)methyl]-triethylsilane
CID 140900137
2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane;methanol
CID 19065853
(1S,4R)-3-ethenylidene-2,2-dimethylbicyclo[2.2.1]heptane
CID 11105521
4-[5-(3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene)-2-methylpenta-1,3-dienyl]benzoic acid
CID 56634989
(1R,2R,4S)-2-methyl-3-oxobicyclo[2.2.1]heptane-2-carbaldehyde
CID 15599975

Frequently Asked Questions

What is the IUPAC name of (Z)-[(1R,4S)-3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene]methanesulfonyl chloride?
The IUPAC name of (Z)-[(1R,4S)-3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene]methanesulfonyl chloride (CID 55279455) is (Z)-[(1R,4S)-3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene]methanesulfonyl chloride.
What is the SMILES notation for (Z)-[(1R,4S)-3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene]methanesulfonyl chloride?
The canonical SMILES for (Z)-[(1R,4S)-3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene]methanesulfonyl chloride is CC1(C)/C(=C\S(=O)(=O)Cl)[C@@H]2CC[C@H]1C2.
What is the InChIKey of (Z)-[(1R,4S)-3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene]methanesulfonyl chloride?
The InChIKey is LWIALFBBKBEQKE-JESIJGHFSA-N. The full InChI is InChI=1S/C10H15ClO2S/c1-10(2)8-4-3-7(5-8)9(10)6-14(11,12)13/h6-8H,3-5H2,1-2H3/b9-6-/t7-,8+/m1/s1.
What are the key properties of (Z)-[(1R,4S)-3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene]methanesulfonyl chloride?
(Z)-[(1R,4S)-3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene]methanesulfonyl chloride has a molecular weight of 234.75 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-[(1R,4S)-3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene]methanesulfonyl chloride is sourced from PubChem (CID 55279455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).