N-ethyl-2-(oxolan-2-ylmethylsulfonyl)pentan-3-amine

C12H25NO3S — CID 106496112

IUPACN-ethyl-2-(oxolan-2-ylmethylsulfonyl)pentan-3-amine
SMILESCCNC(CC)C(C)S(=O)(=O)CC1CCCO1
InChIInChI=1S/C12H25NO3S/c1-4-12(13-5-2)10(3)17(14,15)9-11-7-6-8-16-11/h10-13H,4-9H2,1-3H3
InChIKeyAUVSSQAHNXEZKA-UHFFFAOYSA-N
MW263.40 g/mol
LogP1.36
Rot. Bonds7

About N-ethyl-2-(oxolan-2-ylmethylsulfonyl)pentan-3-amine

N-ethyl-2-(oxolan-2-ylmethylsulfonyl)pentan-3-amine (PubChem CID 106496112) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is N-ethyl-2-(oxolan-2-ylmethylsulfonyl)pentan-3-amine.

Molecular Properties

Compound NameN-ethyl-2-(oxolan-2-ylmethylsulfonyl)pentan-3-amine
PubChem CID106496112
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC NameN-ethyl-2-(oxolan-2-ylmethylsulfonyl)pentan-3-amine
SMILESCCNC(CC)C(C)S(=O)(=O)CC1CCCO1
InChIInChI=1S/C12H25NO3S/c1-4-12(13-5-2)10(3)17(14,15)9-11-7-6-8-16-11/h10-13H,4-9H2,1-3H3
InChIKeyAUVSSQAHNXEZKA-UHFFFAOYSA-N
XLogP1.36
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(oxolan-2-ylmethylsulfonyl)-N-propylpentan-3-amine
CID 106495967
2-methyl-3-(oxolan-2-ylmethylsulfonyl)butanoic acid
CID 106493648
N-ethyl-3-methyl-1-(oxolan-2-yl)pentan-2-amine
CID 63717607
N-methyl-4-(oxolan-2-ylmethylsulfonyl)pentan-2-amine
CID 106496026
(2R)-2-ethyloxolane
CID 641529
4-(oxolan-2-ylmethylsulfonyl)pentan-2-one
CID 106497123
N-(2-ethylbutyl)-1-(oxolan-2-yl)methanesulfonamide
CID 115613323
N-ethyl-1-(oxolan-2-yl)butan-2-amine
CID 60820573
(2R)-2-(methylsulfonylmethyl)oxolane
CID 68993549
2-(oxan-2-ylmethylsulfonyl)propan-1-amine
CID 81187851
azane;2-ethyloxolane
CID 174465001
4-(oxolan-2-ylmethylsulfonyl)-N-propan-2-ylbutan-1-amine
CID 106513606

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(oxolan-2-ylmethylsulfonyl)pentan-3-amine?
The IUPAC name of N-ethyl-2-(oxolan-2-ylmethylsulfonyl)pentan-3-amine (CID 106496112) is N-ethyl-2-(oxolan-2-ylmethylsulfonyl)pentan-3-amine.
What is the SMILES notation for N-ethyl-2-(oxolan-2-ylmethylsulfonyl)pentan-3-amine?
The canonical SMILES for N-ethyl-2-(oxolan-2-ylmethylsulfonyl)pentan-3-amine is CCNC(CC)C(C)S(=O)(=O)CC1CCCO1.
What is the InChIKey of N-ethyl-2-(oxolan-2-ylmethylsulfonyl)pentan-3-amine?
The InChIKey is AUVSSQAHNXEZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-4-12(13-5-2)10(3)17(14,15)9-11-7-6-8-16-11/h10-13H,4-9H2,1-3H3.
What are the key properties of N-ethyl-2-(oxolan-2-ylmethylsulfonyl)pentan-3-amine?
N-ethyl-2-(oxolan-2-ylmethylsulfonyl)pentan-3-amine has a molecular weight of 263.40 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(oxolan-2-ylmethylsulfonyl)pentan-3-amine is sourced from PubChem (CID 106496112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).