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

C12H25NOS — CID 115725763

IUPACN-(1-ethylsulfanylpropan-2-yl)-1-(oxolan-2-yl)propan-2-amine
SMILESCCSCC(C)NC(C)CC1CCCO1
InChIInChI=1S/C12H25NOS/c1-4-15-9-11(3)13-10(2)8-12-6-5-7-14-12/h10-13H,4-9H2,1-3H3
InChIKeyQAGVKPSJHIVJLW-UHFFFAOYSA-N
MW231.40 g/mol
LogP2.68
Rot. Bonds7

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

N-(1-ethylsulfanylpropan-2-yl)-1-(oxolan-2-yl)propan-2-amine (PubChem CID 115725763) has the molecular formula C12H25NOS and a molecular weight of 231.40 g/mol. Its IUPAC name is N-(1-ethylsulfanylpropan-2-yl)-1-(oxolan-2-yl)propan-2-amine.

Molecular Properties

Compound NameN-(1-ethylsulfanylpropan-2-yl)-1-(oxolan-2-yl)propan-2-amine
PubChem CID115725763
Molecular FormulaC12H25NOS
Molecular Weight231.40 g/mol
Exact Mass231.17
IUPAC NameN-(1-ethylsulfanylpropan-2-yl)-1-(oxolan-2-yl)propan-2-amine
SMILESCCSCC(C)NC(C)CC1CCCO1
InChIInChI=1S/C12H25NOS/c1-4-15-9-11(3)13-10(2)8-12-6-5-7-14-12/h10-13H,4-9H2,1-3H3
InChIKeyQAGVKPSJHIVJLW-UHFFFAOYSA-N
XLogP2.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.40
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(oxolan-2-yl)propan-2-amine
CID 60819551
1-(oxolan-2-yl)-N-[1-(oxolan-2-yl)ethyl]propan-2-amine
CID 115709344
2,2-dimethyl-N-[1-(oxolan-2-yl)propan-2-yl]pentan-3-amine
CID 115717829
2-[1-(oxolan-2-yl)propan-2-ylamino]butan-1-ol
CID 115705336
1-(oxolan-2-yl)-N-(2-prop-2-enylsulfanylethyl)propan-2-amine
CID 115889004
1-ethylsulfanyl-N-methyl-4-(oxolan-2-yl)butan-2-amine
CID 65164170
4-methyl-3-[1-(oxolan-2-yl)propan-2-ylamino]pentan-1-ol
CID 115724586
N-[1-(oxolan-2-yl)propan-2-yl]pentan-1-amine
CID 115705777
2,3-dimethyl-N-[1-(oxolan-2-yl)propan-2-yl]butan-1-amine
CID 115722687
1-ethylsulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine
CID 65164220
[1-ethylsulfanyl-5-(oxolan-2-yl)pentan-2-yl]hydrazine
CID 105225409
N-(2-ethylsulfonylethyl)-1-(oxolan-2-yl)propan-2-amine
CID 115716501

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfanylpropan-2-yl)-1-(oxolan-2-yl)propan-2-amine?
The IUPAC name of N-(1-ethylsulfanylpropan-2-yl)-1-(oxolan-2-yl)propan-2-amine (CID 115725763) is N-(1-ethylsulfanylpropan-2-yl)-1-(oxolan-2-yl)propan-2-amine.
What is the SMILES notation for N-(1-ethylsulfanylpropan-2-yl)-1-(oxolan-2-yl)propan-2-amine?
The canonical SMILES for N-(1-ethylsulfanylpropan-2-yl)-1-(oxolan-2-yl)propan-2-amine is CCSCC(C)NC(C)CC1CCCO1.
What is the InChIKey of N-(1-ethylsulfanylpropan-2-yl)-1-(oxolan-2-yl)propan-2-amine?
The InChIKey is QAGVKPSJHIVJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NOS/c1-4-15-9-11(3)13-10(2)8-12-6-5-7-14-12/h10-13H,4-9H2,1-3H3.
What are the key properties of N-(1-ethylsulfanylpropan-2-yl)-1-(oxolan-2-yl)propan-2-amine?
N-(1-ethylsulfanylpropan-2-yl)-1-(oxolan-2-yl)propan-2-amine has a molecular weight of 231.40 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfanylpropan-2-yl)-1-(oxolan-2-yl)propan-2-amine is sourced from PubChem (CID 115725763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).