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

C10H18ClNO3S — CID 63397276

IUPACN-(2-chloroethyl)-N-cyclopropyl-1-(oxolan-2-yl)methanesulfonamide
SMILESO=S(=O)(CC1CCCO1)N(CCCl)C1CC1
InChIInChI=1S/C10H18ClNO3S/c11-5-6-12(9-3-4-9)16(13,14)8-10-2-1-7-15-10/h9-10H,1-8H2
InChIKeyJPCHDJIZNFDJOP-UHFFFAOYSA-N
MW267.78 g/mol
LogP1.20
Rot. Bonds6

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

N-(2-chloroethyl)-N-cyclopropyl-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 63397276) has the molecular formula C10H18ClNO3S and a molecular weight of 267.78 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclopropyl-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclopropyl-1-(oxolan-2-yl)methanesulfonamide
PubChem CID63397276
Molecular FormulaC10H18ClNO3S
Molecular Weight267.78 g/mol
Exact Mass267.07
IUPAC NameN-(2-chloroethyl)-N-cyclopropyl-1-(oxolan-2-yl)methanesulfonamide
SMILESO=S(=O)(CC1CCCO1)N(CCCl)C1CC1
InChIInChI=1S/C10H18ClNO3S/c11-5-6-12(9-3-4-9)16(13,14)8-10-2-1-7-15-10/h9-10H,1-8H2
InChIKeyJPCHDJIZNFDJOP-UHFFFAOYSA-N
XLogP1.20
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.78
LogP ≤ 51.20
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-butyl-N-(2-chloroethyl)-1-(oxolan-2-yl)methanesulfonamide
CID 55187073
N-(2-chloroethyl)-N-cyclopentyl-1-(oxolan-2-yl)methanesulfonamide
CID 55187831
N-(3-chloropropyl)-1-(oxolan-2-yl)-N-propan-2-ylmethanesulfonamide
CID 63396377
N-(2-chloroethyl)-N-methyl-1-(oxolan-2-yl)methanesulfonamide
CID 63396483
N-(2-chloroethyl)-N-cyclohexyl-1-(oxolan-2-yl)methanesulfonamide
CID 63396906
N-(2-chloropropyl)-N-methyl-1-(oxolan-2-yl)methanesulfonamide
CID 63397220
N-(2-chloroethyl)-N-cyclopropyl-2-ethoxyethanesulfonamide
CID 63397324
N-(2-chloroethyl)-1-(oxolan-2-yl)-N-propylmethanesulfonamide
CID 63397486
N-(2-chloroethyl)-1-(oxolan-2-yl)-N-propan-2-ylmethanesulfonamide
CID 63397633
2-(Chloromethyl)-1-(oxolan-2-ylmethylsulfonyl)pyrrolidine
CID 63397697
N-(2-chloroethyl)-N-cyclopropyloxane-4-sulfonamide
CID 63397735
N-(2-chloroethyl)-N-ethyl-1-(oxolan-2-yl)methanesulfonamide
CID 63397753

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-cyclopropyl-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-(2-chloroethyl)-N-cyclopropyl-1-(oxolan-2-yl)methanesulfonamide (CID 63397276) is N-(2-chloroethyl)-N-cyclopropyl-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclopropyl-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-(2-chloroethyl)-N-cyclopropyl-1-(oxolan-2-yl)methanesulfonamide is O=S(=O)(CC1CCCO1)N(CCCl)C1CC1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclopropyl-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is JPCHDJIZNFDJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO3S/c11-5-6-12(9-3-4-9)16(13,14)8-10-2-1-7-15-10/h9-10H,1-8H2.
What are the key properties of N-(2-chloroethyl)-N-cyclopropyl-1-(oxolan-2-yl)methanesulfonamide?
N-(2-chloroethyl)-N-cyclopropyl-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 267.78 g/mol, XLogP of 1.20, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-cyclopropyl-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 63397276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).