N-(2-chloroethyl)-N-methyl-1-(oxolan-2-yl)methanesulfonamide

C8H16ClNO3S — CID 63396483

IUPACN-(2-chloroethyl)-N-methyl-1-(oxolan-2-yl)methanesulfonamide
SMILESCN(CCCl)S(=O)(=O)CC1CCCO1
InChIInChI=1S/C8H16ClNO3S/c1-10(5-4-9)14(11,12)7-8-3-2-6-13-8/h8H,2-7H2,1H3
InChIKeyUMSGAVDELIKQPC-UHFFFAOYSA-N
MW241.74 g/mol
LogP0.67
Rot. Bonds5

About N-(2-chloroethyl)-N-methyl-1-(oxolan-2-yl)methanesulfonamide

N-(2-chloroethyl)-N-methyl-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 63396483) has the molecular formula C8H16ClNO3S and a molecular weight of 241.74 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-methyl-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-methyl-1-(oxolan-2-yl)methanesulfonamide
PubChem CID63396483
Molecular FormulaC8H16ClNO3S
Molecular Weight241.74 g/mol
Exact Mass241.05
IUPAC NameN-(2-chloroethyl)-N-methyl-1-(oxolan-2-yl)methanesulfonamide
SMILESCN(CCCl)S(=O)(=O)CC1CCCO1
InChIInChI=1S/C8H16ClNO3S/c1-10(5-4-9)14(11,12)7-8-3-2-6-13-8/h8H,2-7H2,1H3
InChIKeyUMSGAVDELIKQPC-UHFFFAOYSA-N
XLogP0.67
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 50.67
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-(2-chloroethyl)-N-(2,2-difluoroethyl)-1-(oxolan-2-yl)methanesulfonamide
CID 107492854
N-(2-chloroethyl)-1-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 107493050
N-butyl-N-(2-chloroethyl)-1-(oxolan-2-yl)methanesulfonamide
CID 55187073
N,N-diethyl-1-(oxolan-2-yl)methanesulfonamide
CID 62733682
N-(3-chloropropyl)-1-(oxolan-2-yl)-N-propan-2-ylmethanesulfonamide
CID 63396377
N-(2-chloroethyl)-N-methyloxane-4-sulfonamide
CID 63396388
N-(2-chloroethyl)-N-propyloxane-4-sulfonamide
CID 63397205
N-(2-chloropropyl)-N-methyl-1-(oxolan-2-yl)methanesulfonamide
CID 63397220
N-(2-chloroethyl)-N-cyclopropyl-1-(oxolan-2-yl)methanesulfonamide
CID 63397276
N-(2-chloroethyl)-1-(oxolan-2-yl)-N-propylmethanesulfonamide
CID 63397486
N-(2-chloroethyl)-N-ethyloxane-4-sulfonamide
CID 63397515
N-(2-chloroethyl)-1-(oxolan-2-yl)-N-propan-2-ylmethanesulfonamide
CID 63397633

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-methyl-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-(2-chloroethyl)-N-methyl-1-(oxolan-2-yl)methanesulfonamide (CID 63396483) is N-(2-chloroethyl)-N-methyl-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-(2-chloroethyl)-N-methyl-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-(2-chloroethyl)-N-methyl-1-(oxolan-2-yl)methanesulfonamide is CN(CCCl)S(=O)(=O)CC1CCCO1.
What is the InChIKey of N-(2-chloroethyl)-N-methyl-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is UMSGAVDELIKQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO3S/c1-10(5-4-9)14(11,12)7-8-3-2-6-13-8/h8H,2-7H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-methyl-1-(oxolan-2-yl)methanesulfonamide?
N-(2-chloroethyl)-N-methyl-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 241.74 g/mol, XLogP of 0.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-methyl-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 63396483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).