1-chloro-N-methyl-N-(oxolan-2-ylmethyl)methanesulfonamide

C7H14ClNO3S — CID 63666435

IUPAC1-chloro-N-methyl-N-(oxolan-2-ylmethyl)methanesulfonamide
SMILESCN(CC1CCCO1)S(=O)(=O)CCl
InChIInChI=1S/C7H14ClNO3S/c1-9(13(10,11)6-8)5-7-3-2-4-12-7/h7H,2-6H2,1H3
InChIKeyMSBDFRGSDLHIBD-UHFFFAOYSA-N
MW227.71 g/mol
LogP0.62
Rot. Bonds4

About 1-chloro-N-methyl-N-(oxolan-2-ylmethyl)methanesulfonamide

1-chloro-N-methyl-N-(oxolan-2-ylmethyl)methanesulfonamide (PubChem CID 63666435) has the molecular formula C7H14ClNO3S and a molecular weight of 227.71 g/mol. Its IUPAC name is 1-chloro-N-methyl-N-(oxolan-2-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-methyl-N-(oxolan-2-ylmethyl)methanesulfonamide
PubChem CID63666435
Molecular FormulaC7H14ClNO3S
Molecular Weight227.71 g/mol
Exact Mass227.04
IUPAC Name1-chloro-N-methyl-N-(oxolan-2-ylmethyl)methanesulfonamide
SMILESCN(CC1CCCO1)S(=O)(=O)CCl
InChIInChI=1S/C7H14ClNO3S/c1-9(13(10,11)6-8)5-7-3-2-4-12-7/h7H,2-6H2,1H3
InChIKeyMSBDFRGSDLHIBD-UHFFFAOYSA-N
XLogP0.62
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.71
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(oxolan-2-ylmethyl)ethanesulfonamide
CID 64585156
1-Chloromethanesulfonyl-2-(methoxymethyl)pyrrolidine
CID 13494958
(2S)-1-(chloromethylsulfonyl)-2-(methoxymethyl)pyrrolidine
CID 13494959
N-ethyl-N-(oxolan-2-ylmethyl)methanesulfonamide
CID 60587260
N-methyl-N-(oxolan-2-ylmethyl)methanesulfonamide
CID 61059229
N-methyl-N-(oxolan-2-ylmethyl)sulfamoyl chloride
CID 61431198
3-chloro-N-methyl-N-(oxolan-2-ylmethyl)propane-1-sulfonamide
CID 61433631
Ethyl((tetrahydrofuran-2-yl)methyl)sulfamoyl chloride
CID 61433914
1-chloro-N,N-bis(oxolan-2-ylmethyl)methanesulfonamide
CID 63664326
1-chloro-N-ethyl-N-[(oxolan-2-yl)methyl]methanesulfonamide
CID 63666437
N-methyl-N-(oxolan-2-ylmethyl)propane-2-sulfonamide
CID 64585155
N-methyl-N-(oxolan-2-ylmethyl)propane-1-sulfonamide
CID 64585157

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-methyl-N-(oxolan-2-ylmethyl)methanesulfonamide?
The IUPAC name of 1-chloro-N-methyl-N-(oxolan-2-ylmethyl)methanesulfonamide (CID 63666435) is 1-chloro-N-methyl-N-(oxolan-2-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1-chloro-N-methyl-N-(oxolan-2-ylmethyl)methanesulfonamide?
The canonical SMILES for 1-chloro-N-methyl-N-(oxolan-2-ylmethyl)methanesulfonamide is CN(CC1CCCO1)S(=O)(=O)CCl.
What is the InChIKey of 1-chloro-N-methyl-N-(oxolan-2-ylmethyl)methanesulfonamide?
The InChIKey is MSBDFRGSDLHIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO3S/c1-9(13(10,11)6-8)5-7-3-2-4-12-7/h7H,2-6H2,1H3.
What are the key properties of 1-chloro-N-methyl-N-(oxolan-2-ylmethyl)methanesulfonamide?
1-chloro-N-methyl-N-(oxolan-2-ylmethyl)methanesulfonamide has a molecular weight of 227.71 g/mol, XLogP of 0.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-methyl-N-(oxolan-2-ylmethyl)methanesulfonamide is sourced from PubChem (CID 63666435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).