1-methylsulfanyl-3-(oxolan-2-yl)-N-propylpropan-2-amine

C11H23NOS — CID 62693038

IUPAC1-methylsulfanyl-3-(oxolan-2-yl)-N-propylpropan-2-amine
SMILESCCCNC(CSC)CC1CCCO1
InChIInChI=1S/C11H23NOS/c1-3-6-12-10(9-14-2)8-11-5-4-7-13-11/h10-12H,3-9H2,1-2H3
InChIKeyKZNNQNPCSREYHK-UHFFFAOYSA-N
MW217.38 g/mol
LogP2.29
Rot. Bonds7

About 1-methylsulfanyl-3-(oxolan-2-yl)-N-propylpropan-2-amine

1-methylsulfanyl-3-(oxolan-2-yl)-N-propylpropan-2-amine (PubChem CID 62693038) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is 1-methylsulfanyl-3-(oxolan-2-yl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-methylsulfanyl-3-(oxolan-2-yl)-N-propylpropan-2-amine
PubChem CID62693038
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Name1-methylsulfanyl-3-(oxolan-2-yl)-N-propylpropan-2-amine
SMILESCCCNC(CSC)CC1CCCO1
InChIInChI=1S/C11H23NOS/c1-3-6-12-10(9-14-2)8-11-5-4-7-13-11/h10-12H,3-9H2,1-2H3
InChIKeyKZNNQNPCSREYHK-UHFFFAOYSA-N
XLogP2.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanyl-3-(oxolan-2-yl)-N-propylpropan-2-amine?
The IUPAC name of 1-methylsulfanyl-3-(oxolan-2-yl)-N-propylpropan-2-amine (CID 62693038) is 1-methylsulfanyl-3-(oxolan-2-yl)-N-propylpropan-2-amine.
What is the SMILES notation for 1-methylsulfanyl-3-(oxolan-2-yl)-N-propylpropan-2-amine?
The canonical SMILES for 1-methylsulfanyl-3-(oxolan-2-yl)-N-propylpropan-2-amine is CCCNC(CSC)CC1CCCO1.
What is the InChIKey of 1-methylsulfanyl-3-(oxolan-2-yl)-N-propylpropan-2-amine?
The InChIKey is KZNNQNPCSREYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-3-6-12-10(9-14-2)8-11-5-4-7-13-11/h10-12H,3-9H2,1-2H3.
What are the key properties of 1-methylsulfanyl-3-(oxolan-2-yl)-N-propylpropan-2-amine?
1-methylsulfanyl-3-(oxolan-2-yl)-N-propylpropan-2-amine has a molecular weight of 217.38 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanyl-3-(oxolan-2-yl)-N-propylpropan-2-amine is sourced from PubChem (CID 62693038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).