N-[1-(oxolan-2-yl)ethyl]ethanesulfonamide

C8H17NO3S — CID 6466561

IUPACN-[1-(oxolan-2-yl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC(C)C1CCCO1
InChIInChI=1S/C8H17NO3S/c1-3-13(10,11)9-7(2)8-5-4-6-12-8/h7-9H,3-6H2,1-2H3
InChIKeyVMSMPCAXQHJBMW-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.49
Rot. Bonds4

About N-[1-(oxolan-2-yl)ethyl]ethanesulfonamide

N-[1-(oxolan-2-yl)ethyl]ethanesulfonamide (PubChem CID 6466561) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is N-[1-(oxolan-2-yl)ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[1-(oxolan-2-yl)ethyl]ethanesulfonamide
PubChem CID6466561
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC NameN-[1-(oxolan-2-yl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC(C)C1CCCO1
InChIInChI=1S/C8H17NO3S/c1-3-13(10,11)9-7(2)8-5-4-6-12-8/h7-9H,3-6H2,1-2H3
InChIKeyVMSMPCAXQHJBMW-UHFFFAOYSA-N
XLogP0.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methyloxan-4-yl)-2-(oxolan-2-yl)ethanesulfonamide
CID 75439666
2,2-dimethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propane-1-sulfonamide
CID 136540381
(Ethylsulfonyl)(oxolan-2-ylmethyl)amine
CID 4534685
2-methyl-N-(oxolan-2-ylmethyl)propane-2-sulfonamide
CID 57881437
N-(oxolan-2-ylmethyl)propane-2-sulfonamide
CID 61361636
1-(oxolan-2-yl)-N-propan-2-ylmethanesulfonamide
CID 64294996
N-(oxolan-2-ylmethyl)ethanesulfonamide;dihydrochloride
CID 140497142
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propane-2-sulfonamide
CID 162360362
2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propane-2-sulfonamide
CID 165172518
N-[(3R,6R)-6-methyloxan-3-yl]ethanesulfonamide
CID 167320930
N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]ethanesulfonamide
CID 8059466
N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]ethanesulfonamide
CID 8059467

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-2-yl)ethyl]ethanesulfonamide?
The IUPAC name of N-[1-(oxolan-2-yl)ethyl]ethanesulfonamide (CID 6466561) is N-[1-(oxolan-2-yl)ethyl]ethanesulfonamide.
What is the SMILES notation for N-[1-(oxolan-2-yl)ethyl]ethanesulfonamide?
The canonical SMILES for N-[1-(oxolan-2-yl)ethyl]ethanesulfonamide is CCS(=O)(=O)NC(C)C1CCCO1.
What is the InChIKey of N-[1-(oxolan-2-yl)ethyl]ethanesulfonamide?
The InChIKey is VMSMPCAXQHJBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-3-13(10,11)9-7(2)8-5-4-6-12-8/h7-9H,3-6H2,1-2H3.
What are the key properties of N-[1-(oxolan-2-yl)ethyl]ethanesulfonamide?
N-[1-(oxolan-2-yl)ethyl]ethanesulfonamide has a molecular weight of 207.29 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-2-yl)ethyl]ethanesulfonamide is sourced from PubChem (CID 6466561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).