N-[(2-methylthiolan-2-yl)methyl]-1-(oxolan-3-yl)ethanamine

C12H23NOS — CID 115728211

IUPACN-[(2-methylthiolan-2-yl)methyl]-1-(oxolan-3-yl)ethanamine
SMILESCC(NCC1(C)CCCS1)C1CCOC1
InChIInChI=1S/C12H23NOS/c1-10(11-4-6-14-8-11)13-9-12(2)5-3-7-15-12/h10-11,13H,3-9H2,1-2H3
InChIKeyPCFMMCVCYHBJED-UHFFFAOYSA-N
MW229.39 g/mol
LogP2.29
Rot. Bonds4

About N-[(2-methylthiolan-2-yl)methyl]-1-(oxolan-3-yl)ethanamine

N-[(2-methylthiolan-2-yl)methyl]-1-(oxolan-3-yl)ethanamine (PubChem CID 115728211) has the molecular formula C12H23NOS and a molecular weight of 229.39 g/mol. Its IUPAC name is N-[(2-methylthiolan-2-yl)methyl]-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(2-methylthiolan-2-yl)methyl]-1-(oxolan-3-yl)ethanamine
PubChem CID115728211
Molecular FormulaC12H23NOS
Molecular Weight229.39 g/mol
Exact Mass229.15
IUPAC NameN-[(2-methylthiolan-2-yl)methyl]-1-(oxolan-3-yl)ethanamine
SMILESCC(NCC1(C)CCCS1)C1CCOC1
InChIInChI=1S/C12H23NOS/c1-10(11-4-6-14-8-11)13-9-12(2)5-3-7-15-12/h10-11,13H,3-9H2,1-2H3
InChIKeyPCFMMCVCYHBJED-UHFFFAOYSA-N
XLogP2.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-N-[(2-methylthiolan-2-yl)methyl]ethanamine
CID 80725460
N-[(1-methylcyclopentyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115889581
N-[(1-methylcyclopropyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 103902883
N,N-dimethyl-1-[[1-(oxolan-3-yl)ethylamino]methyl]cyclopentan-1-amine
CID 115707728
1-[[1-(oxan-4-yl)ethylamino]methyl]cyclopentan-1-ol
CID 115719665
N-(oxan-3-ylmethyl)-1-(oxolan-3-yl)ethanamine
CID 115710912
N-carbamoyl-2-[(2-methylthiolan-2-yl)methylamino]propanamide
CID 80527849
N-[(2-methylthiolan-2-yl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 80722664
1-cyclopentyl-N-[(4-methyloxan-4-yl)methyl]ethanamine
CID 115893016
[1-[[1-(oxan-4-yl)ethylamino]methyl]cyclohexyl]methanol
CID 103903221
2-[1-(oxolan-3-yl)ethylamino]-N-propan-2-ylacetamide
CID 115707603
N-(methylcarbamoyl)-2-[(2-methylthiolan-2-yl)methylamino]propanamide
CID 80527987

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylthiolan-2-yl)methyl]-1-(oxolan-3-yl)ethanamine?
The IUPAC name of N-[(2-methylthiolan-2-yl)methyl]-1-(oxolan-3-yl)ethanamine (CID 115728211) is N-[(2-methylthiolan-2-yl)methyl]-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for N-[(2-methylthiolan-2-yl)methyl]-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for N-[(2-methylthiolan-2-yl)methyl]-1-(oxolan-3-yl)ethanamine is CC(NCC1(C)CCCS1)C1CCOC1.
What is the InChIKey of N-[(2-methylthiolan-2-yl)methyl]-1-(oxolan-3-yl)ethanamine?
The InChIKey is PCFMMCVCYHBJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NOS/c1-10(11-4-6-14-8-11)13-9-12(2)5-3-7-15-12/h10-11,13H,3-9H2,1-2H3.
What are the key properties of N-[(2-methylthiolan-2-yl)methyl]-1-(oxolan-3-yl)ethanamine?
N-[(2-methylthiolan-2-yl)methyl]-1-(oxolan-3-yl)ethanamine has a molecular weight of 229.39 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylthiolan-2-yl)methyl]-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 115728211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).