N-(2-ethylsulfonylethyl)-1-(oxolan-2-yl)propan-2-amine

C11H23NO3S — CID 115716501

IUPACN-(2-ethylsulfonylethyl)-1-(oxolan-2-yl)propan-2-amine
SMILESCCS(=O)(=O)CCNC(C)CC1CCCO1
InChIInChI=1S/C11H23NO3S/c1-3-16(13,14)8-6-12-10(2)9-11-5-4-7-15-11/h10-12H,3-9H2,1-2H3
InChIKeyCKUMWVYQVAGVCW-UHFFFAOYSA-N
MW249.38 g/mol
LogP0.97
Rot. Bonds7

About N-(2-ethylsulfonylethyl)-1-(oxolan-2-yl)propan-2-amine

N-(2-ethylsulfonylethyl)-1-(oxolan-2-yl)propan-2-amine (PubChem CID 115716501) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is N-(2-ethylsulfonylethyl)-1-(oxolan-2-yl)propan-2-amine.

Molecular Properties

Compound NameN-(2-ethylsulfonylethyl)-1-(oxolan-2-yl)propan-2-amine
PubChem CID115716501
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC NameN-(2-ethylsulfonylethyl)-1-(oxolan-2-yl)propan-2-amine
SMILESCCS(=O)(=O)CCNC(C)CC1CCCO1
InChIInChI=1S/C11H23NO3S/c1-3-16(13,14)8-6-12-10(2)9-11-5-4-7-15-11/h10-12H,3-9H2,1-2H3
InChIKeyCKUMWVYQVAGVCW-UHFFFAOYSA-N
XLogP0.97
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(oxolan-2-yl)propan-2-yl]pentan-1-amine
CID 115705777
4-ethoxy-N-[1-(oxolan-2-yl)propan-2-yl]butan-1-amine
CID 115710165
5-(oxolan-2-ylmethylsulfonyl)-N-propylpentan-2-amine
CID 106496039
N-methyl-1-(oxolan-2-yl)propan-2-amine
CID 60819551
2,3-dimethyl-N-[1-(oxolan-2-yl)propan-2-yl]butan-1-amine
CID 115722687
5-ethylsulfonyl-1-(oxolan-2-yl)pentan-2-ol
CID 65098323
1-(oxolan-2-yl)-N-(2-pyrazol-1-ylethyl)propan-2-amine
CID 115888839
1-(oxolan-2-yl)-N-(2-prop-2-enylsulfanylethyl)propan-2-amine
CID 115889004
N-[(2-methylcyclopropyl)methyl]-1-(oxolan-2-yl)propan-2-amine
CID 115713100
4-(oxolan-2-ylmethylsulfonyl)-N-propan-2-ylbutan-1-amine
CID 106513606
2-methyl-2-[[1-(oxolan-2-yl)propan-2-ylamino]methyl]butan-1-ol
CID 115895173
N-ethyl-6-ethylsulfonyl-1-(oxolan-2-yl)hexan-3-amine
CID 115865230

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfonylethyl)-1-(oxolan-2-yl)propan-2-amine?
The IUPAC name of N-(2-ethylsulfonylethyl)-1-(oxolan-2-yl)propan-2-amine (CID 115716501) is N-(2-ethylsulfonylethyl)-1-(oxolan-2-yl)propan-2-amine.
What is the SMILES notation for N-(2-ethylsulfonylethyl)-1-(oxolan-2-yl)propan-2-amine?
The canonical SMILES for N-(2-ethylsulfonylethyl)-1-(oxolan-2-yl)propan-2-amine is CCS(=O)(=O)CCNC(C)CC1CCCO1.
What is the InChIKey of N-(2-ethylsulfonylethyl)-1-(oxolan-2-yl)propan-2-amine?
The InChIKey is CKUMWVYQVAGVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-3-16(13,14)8-6-12-10(2)9-11-5-4-7-15-11/h10-12H,3-9H2,1-2H3.
What are the key properties of N-(2-ethylsulfonylethyl)-1-(oxolan-2-yl)propan-2-amine?
N-(2-ethylsulfonylethyl)-1-(oxolan-2-yl)propan-2-amine has a molecular weight of 249.38 g/mol, XLogP of 0.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfonylethyl)-1-(oxolan-2-yl)propan-2-amine is sourced from PubChem (CID 115716501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).