N-ethyl-N-(2-propan-2-yloxypropyl)methanesulfonamide

C9H21NO3S — CID 88991605

IUPACN-ethyl-N-(2-propan-2-yloxypropyl)methanesulfonamide
SMILESCCN(CC(C)OC(C)C)S(C)(=O)=O
InChIInChI=1S/C9H21NO3S/c1-6-10(14(5,11)12)7-9(4)13-8(2)3/h8-9H,6-7H2,1-5H3
InChIKeyCSYGIFZPXGPWIE-UHFFFAOYSA-N
MW223.34 g/mol
LogP1.08
Rot. Bonds6

About N-ethyl-N-(2-propan-2-yloxypropyl)methanesulfonamide

N-ethyl-N-(2-propan-2-yloxypropyl)methanesulfonamide (PubChem CID 88991605) has the molecular formula C9H21NO3S and a molecular weight of 223.34 g/mol. Its IUPAC name is N-ethyl-N-(2-propan-2-yloxypropyl)methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(2-propan-2-yloxypropyl)methanesulfonamide
PubChem CID88991605
Molecular FormulaC9H21NO3S
Molecular Weight223.34 g/mol
Exact Mass223.12
IUPAC NameN-ethyl-N-(2-propan-2-yloxypropyl)methanesulfonamide
SMILESCCN(CC(C)OC(C)C)S(C)(=O)=O
InChIInChI=1S/C9H21NO3S/c1-6-10(14(5,11)12)7-9(4)13-8(2)3/h8-9H,6-7H2,1-5H3
InChIKeyCSYGIFZPXGPWIE-UHFFFAOYSA-N
XLogP1.08
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-propan-2-yloxypropyl)methanesulfonamide?
The IUPAC name of N-ethyl-N-(2-propan-2-yloxypropyl)methanesulfonamide (CID 88991605) is N-ethyl-N-(2-propan-2-yloxypropyl)methanesulfonamide.
What is the SMILES notation for N-ethyl-N-(2-propan-2-yloxypropyl)methanesulfonamide?
The canonical SMILES for N-ethyl-N-(2-propan-2-yloxypropyl)methanesulfonamide is CCN(CC(C)OC(C)C)S(C)(=O)=O.
What is the InChIKey of N-ethyl-N-(2-propan-2-yloxypropyl)methanesulfonamide?
The InChIKey is CSYGIFZPXGPWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3S/c1-6-10(14(5,11)12)7-9(4)13-8(2)3/h8-9H,6-7H2,1-5H3.
What are the key properties of N-ethyl-N-(2-propan-2-yloxypropyl)methanesulfonamide?
N-ethyl-N-(2-propan-2-yloxypropyl)methanesulfonamide has a molecular weight of 223.34 g/mol, XLogP of 1.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-propan-2-yloxypropyl)methanesulfonamide is sourced from PubChem (CID 88991605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).