1-chloro-N-[(3-methyloxetan-3-yl)methyl]methanesulfonamide

C6H12ClNO3S — CID 107858786

IUPAC1-chloro-N-[(3-methyloxetan-3-yl)methyl]methanesulfonamide
SMILESCC1(CNS(=O)(=O)CCl)COC1
InChIInChI=1S/C6H12ClNO3S/c1-6(3-11-4-6)2-8-12(9,10)5-7/h8H,2-5H2,1H3
InChIKeyKVOUFPQWKXOZLP-UHFFFAOYSA-N
MW213.69 g/mol
LogP0.14
Rot. Bonds4

About 1-chloro-N-[(3-methyloxetan-3-yl)methyl]methanesulfonamide

1-chloro-N-[(3-methyloxetan-3-yl)methyl]methanesulfonamide (PubChem CID 107858786) has the molecular formula C6H12ClNO3S and a molecular weight of 213.69 g/mol. Its IUPAC name is 1-chloro-N-[(3-methyloxetan-3-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-[(3-methyloxetan-3-yl)methyl]methanesulfonamide
PubChem CID107858786
Molecular FormulaC6H12ClNO3S
Molecular Weight213.69 g/mol
Exact Mass213.02
IUPAC Name1-chloro-N-[(3-methyloxetan-3-yl)methyl]methanesulfonamide
SMILESCC1(CNS(=O)(=O)CCl)COC1
InChIInChI=1S/C6H12ClNO3S/c1-6(3-11-4-6)2-8-12(9,10)5-7/h8H,2-5H2,1H3
InChIKeyKVOUFPQWKXOZLP-UHFFFAOYSA-N
XLogP0.14
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.69
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-[(3-methyloxetan-3-yl)methyl]methanesulfonamide?
The IUPAC name of 1-chloro-N-[(3-methyloxetan-3-yl)methyl]methanesulfonamide (CID 107858786) is 1-chloro-N-[(3-methyloxetan-3-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-chloro-N-[(3-methyloxetan-3-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-chloro-N-[(3-methyloxetan-3-yl)methyl]methanesulfonamide is CC1(CNS(=O)(=O)CCl)COC1.
What is the InChIKey of 1-chloro-N-[(3-methyloxetan-3-yl)methyl]methanesulfonamide?
The InChIKey is KVOUFPQWKXOZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNO3S/c1-6(3-11-4-6)2-8-12(9,10)5-7/h8H,2-5H2,1H3.
What are the key properties of 1-chloro-N-[(3-methyloxetan-3-yl)methyl]methanesulfonamide?
1-chloro-N-[(3-methyloxetan-3-yl)methyl]methanesulfonamide has a molecular weight of 213.69 g/mol, XLogP of 0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-[(3-methyloxetan-3-yl)methyl]methanesulfonamide is sourced from PubChem (CID 107858786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).