(6-methyloxan-2-yl)methanesulfonyl chloride

C7H13ClO3S — CID 131420775

IUPAC(6-methyloxan-2-yl)methanesulfonyl chloride
SMILESCC1CCCC(CS(=O)(=O)Cl)O1
InChIInChI=1S/C7H13ClO3S/c1-6-3-2-4-7(11-6)5-12(8,9)10/h6-7H,2-5H2,1H3
InChIKeyXFTNCRHZKGENJY-UHFFFAOYSA-N
MW212.70 g/mol
LogP1.51
Rot. Bonds2

About (6-methyloxan-2-yl)methanesulfonyl chloride

(6-methyloxan-2-yl)methanesulfonyl chloride (PubChem CID 131420775) has the molecular formula C7H13ClO3S and a molecular weight of 212.70 g/mol. Its IUPAC name is (6-methyloxan-2-yl)methanesulfonyl chloride.

Molecular Properties

Compound Name(6-methyloxan-2-yl)methanesulfonyl chloride
PubChem CID131420775
Molecular FormulaC7H13ClO3S
Molecular Weight212.70 g/mol
Exact Mass212.03
IUPAC Name(6-methyloxan-2-yl)methanesulfonyl chloride
SMILESCC1CCCC(CS(=O)(=O)Cl)O1
InChIInChI=1S/C7H13ClO3S/c1-6-3-2-4-7(11-6)5-12(8,9)10/h6-7H,2-5H2,1H3
InChIKeyXFTNCRHZKGENJY-UHFFFAOYSA-N
XLogP1.51
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.70
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (6-methyloxan-2-yl)methanesulfonyl chloride 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

(Oxan-2-yl)methanesulfonyl chloride
CID 21224521
Oxan-2-ylmethanesulfonamide
CID 47003000
4-Methoxycyclohexane-1-sulfonyl chloride
CID 59996026
2-(Oxan-4-yloxy)ethane-1-sulfonyl chloride
CID 64198683
2-(Oxolan-2-yl)ethane-1-sulfonyl chloride
CID 65158435
3-Methoxycyclohexane-1-sulfonyl chloride
CID 84734734
rac-(1R,2S)-2-methoxycyclohexane-1-sulfonyl chloride
CID 124513068
2-(Oxan-2-yl)ethane-1-sulfonamide
CID 126970892
2-(Trifluoromethyl)oxane-4-sulfonyl chloride
CID 130512680
(5-Methyloxan-2-yl)methanesulfonyl chloride
CID 145915643
rac-[(2R,6R)-6-methyloxan-2-yl]methanesulfonyl chloride
CID 155973813
trans-(1S,2S)-2-methoxycyclohexane-1-sulfonyl chloride
CID 124513069

Frequently Asked Questions

What is the IUPAC name of (6-methyloxan-2-yl)methanesulfonyl chloride?
The IUPAC name of (6-methyloxan-2-yl)methanesulfonyl chloride (CID 131420775) is (6-methyloxan-2-yl)methanesulfonyl chloride.
What is the SMILES notation for (6-methyloxan-2-yl)methanesulfonyl chloride?
The canonical SMILES for (6-methyloxan-2-yl)methanesulfonyl chloride is CC1CCCC(CS(=O)(=O)Cl)O1.
What is the InChIKey of (6-methyloxan-2-yl)methanesulfonyl chloride?
The InChIKey is XFTNCRHZKGENJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClO3S/c1-6-3-2-4-7(11-6)5-12(8,9)10/h6-7H,2-5H2,1H3.
What are the key properties of (6-methyloxan-2-yl)methanesulfonyl chloride?
(6-methyloxan-2-yl)methanesulfonyl chloride has a molecular weight of 212.70 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyloxan-2-yl)methanesulfonyl chloride is sourced from PubChem (CID 131420775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).