trans-(1R,3R)-1-methyl-3-[(3-methylcyclobutyl)methylsulfonyl]cyclopentane

C12H22O2S — CID 130451457

IUPACtrans-(1R,3R)-1-methyl-3-[(3-methylcyclobutyl)methylsulfonyl]cyclopentane
SMILESCC1CC(CS(=O)(=O)[C@@H]2CC[C@@H](C)C2)C1
InChIInChI=1S/C12H22O2S/c1-9-3-4-12(7-9)15(13,14)8-11-5-10(2)6-11/h9-12H,3-8H2,1-2H3/t9-,10?,11?,12-/m1/s1
InChIKeyMJEBMWOFZAUTLT-HBIQZDMRSA-N
MW230.37 g/mol
LogP2.64
Rot. Bonds3

About trans-(1R,3R)-1-methyl-3-[(3-methylcyclobutyl)methylsulfonyl]cyclopentane

trans-(1R,3R)-1-methyl-3-[(3-methylcyclobutyl)methylsulfonyl]cyclopentane (PubChem CID 130451457) has the molecular formula C12H22O2S and a molecular weight of 230.37 g/mol. Its IUPAC name is trans-(1R,3R)-1-methyl-3-[(3-methylcyclobutyl)methylsulfonyl]cyclopentane.

Molecular Properties

Compound Nametrans-(1R,3R)-1-methyl-3-[(3-methylcyclobutyl)methylsulfonyl]cyclopentane
PubChem CID130451457
Molecular FormulaC12H22O2S
Molecular Weight230.37 g/mol
Exact Mass230.13
IUPAC Nametrans-(1R,3R)-1-methyl-3-[(3-methylcyclobutyl)methylsulfonyl]cyclopentane
SMILESCC1CC(CS(=O)(=O)[C@@H]2CC[C@@H](C)C2)C1
InChIInChI=1S/C12H22O2S/c1-9-3-4-12(7-9)15(13,14)8-11-5-10(2)6-11/h9-12H,3-8H2,1-2H3/t9-,10?,11?,12-/m1/s1
InChIKeyMJEBMWOFZAUTLT-HBIQZDMRSA-N
XLogP2.64
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.37
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze trans-(1R,3R)-1-methyl-3-[(3-methylcyclobutyl)methylsulfonyl]cyclopentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-(1R,3R)-1-ethyl-3-methylcyclopentane
CID 6432281
3-ethylcyclopentane-1-sulfonic acid
CID 146965844
ethylsulfonylcyclopropane
CID 12063392
4-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine
CID 55115171
1-ethyl-3-methylcyclopentane;methane
CID 144878558
trans-(1S,3S)-3-ethylsulfonylcyclopentane-1-carboxylic acid
CID 99998180
ethane;1-ethyl-3-methylcyclopentane;propane
CID 162724800
ethane;1-ethyl-3-methylcyclopentane;methane
CID 143549487
2-(cyclopentylmethylsulfonyl)-N,3,5-trimethylcyclohexan-1-amine
CID 64753286
ethyl 2-(3-methylcyclohexyl)sulfonylacetate
CID 62720621
3-(4-methylcyclohexyl)sulfonylpropanoic acid
CID 10752174
[(1R,3S)-3-methylcyclopentyl]methyl sulfamate
CID 139354363

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-1-methyl-3-[(3-methylcyclobutyl)methylsulfonyl]cyclopentane?
The IUPAC name of trans-(1R,3R)-1-methyl-3-[(3-methylcyclobutyl)methylsulfonyl]cyclopentane (CID 130451457) is trans-(1R,3R)-1-methyl-3-[(3-methylcyclobutyl)methylsulfonyl]cyclopentane.
What is the SMILES notation for trans-(1R,3R)-1-methyl-3-[(3-methylcyclobutyl)methylsulfonyl]cyclopentane?
The canonical SMILES for trans-(1R,3R)-1-methyl-3-[(3-methylcyclobutyl)methylsulfonyl]cyclopentane is CC1CC(CS(=O)(=O)[C@@H]2CC[C@@H](C)C2)C1.
What is the InChIKey of trans-(1R,3R)-1-methyl-3-[(3-methylcyclobutyl)methylsulfonyl]cyclopentane?
The InChIKey is MJEBMWOFZAUTLT-HBIQZDMRSA-N. The full InChI is InChI=1S/C12H22O2S/c1-9-3-4-12(7-9)15(13,14)8-11-5-10(2)6-11/h9-12H,3-8H2,1-2H3/t9-,10?,11?,12-/m1/s1.
What are the key properties of trans-(1R,3R)-1-methyl-3-[(3-methylcyclobutyl)methylsulfonyl]cyclopentane?
trans-(1R,3R)-1-methyl-3-[(3-methylcyclobutyl)methylsulfonyl]cyclopentane has a molecular weight of 230.37 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-1-methyl-3-[(3-methylcyclobutyl)methylsulfonyl]cyclopentane is sourced from PubChem (CID 130451457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).