N-(2-chloroethyl)-1-(oxolan-2-yl)-N-propylmethanesulfonamide

C10H20ClNO3S — CID 63397486

IUPACN-(2-chloroethyl)-1-(oxolan-2-yl)-N-propylmethanesulfonamide
SMILESCCCN(CCCl)S(=O)(=O)CC1CCCO1
InChIInChI=1S/C10H20ClNO3S/c1-2-6-12(7-5-11)16(13,14)9-10-4-3-8-15-10/h10H,2-9H2,1H3
InChIKeyVDAUVSHTDFCEJA-UHFFFAOYSA-N
MW269.79 g/mol
LogP1.45
Rot. Bonds7

About N-(2-chloroethyl)-1-(oxolan-2-yl)-N-propylmethanesulfonamide

N-(2-chloroethyl)-1-(oxolan-2-yl)-N-propylmethanesulfonamide (PubChem CID 63397486) has the molecular formula C10H20ClNO3S and a molecular weight of 269.79 g/mol. Its IUPAC name is N-(2-chloroethyl)-1-(oxolan-2-yl)-N-propylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-1-(oxolan-2-yl)-N-propylmethanesulfonamide
PubChem CID63397486
Molecular FormulaC10H20ClNO3S
Molecular Weight269.79 g/mol
Exact Mass269.09
IUPAC NameN-(2-chloroethyl)-1-(oxolan-2-yl)-N-propylmethanesulfonamide
SMILESCCCN(CCCl)S(=O)(=O)CC1CCCO1
InChIInChI=1S/C10H20ClNO3S/c1-2-6-12(7-5-11)16(13,14)9-10-4-3-8-15-10/h10H,2-9H2,1H3
InChIKeyVDAUVSHTDFCEJA-UHFFFAOYSA-N
XLogP1.45
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.79
LogP ≤ 51.45
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-(2-chloroethyl)-N-pentan-3-yloxane-4-sulfonamide
CID 55186705
N-butyl-N-(2-chloroethyl)-1-(oxolan-2-yl)methanesulfonamide
CID 55187073
N-(2-chloroethyl)-N-cyclopentyl-1-(oxolan-2-yl)methanesulfonamide
CID 55187831
3-chloro-N-ethyl-N-(oxolan-2-ylmethyl)propane-1-sulfonamide
CID 61439111
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-methyl-1-(oxolan-2-yl)methanesulfonamide
CID 63396483
N-butyl-N-(2-chloroethyl)oxane-4-sulfonamide
CID 63396506
4-Chloro-1-(oxolan-2-ylmethylsulfonyl)piperidine
CID 63396670

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-1-(oxolan-2-yl)-N-propylmethanesulfonamide?
The IUPAC name of N-(2-chloroethyl)-1-(oxolan-2-yl)-N-propylmethanesulfonamide (CID 63397486) is N-(2-chloroethyl)-1-(oxolan-2-yl)-N-propylmethanesulfonamide.
What is the SMILES notation for N-(2-chloroethyl)-1-(oxolan-2-yl)-N-propylmethanesulfonamide?
The canonical SMILES for N-(2-chloroethyl)-1-(oxolan-2-yl)-N-propylmethanesulfonamide is CCCN(CCCl)S(=O)(=O)CC1CCCO1.
What is the InChIKey of N-(2-chloroethyl)-1-(oxolan-2-yl)-N-propylmethanesulfonamide?
The InChIKey is VDAUVSHTDFCEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO3S/c1-2-6-12(7-5-11)16(13,14)9-10-4-3-8-15-10/h10H,2-9H2,1H3.
What are the key properties of N-(2-chloroethyl)-1-(oxolan-2-yl)-N-propylmethanesulfonamide?
N-(2-chloroethyl)-1-(oxolan-2-yl)-N-propylmethanesulfonamide has a molecular weight of 269.79 g/mol, XLogP of 1.45, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-1-(oxolan-2-yl)-N-propylmethanesulfonamide is sourced from PubChem (CID 63397486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).