N-[[5-(propan-2-yloxymethyl)thiolan-2-yl]methyl]propan-2-amine

C12H25NOS — CID 176646147

IUPACN-[[5-(propan-2-yloxymethyl)thiolan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCC(COC(C)C)S1
InChIInChI=1S/C12H25NOS/c1-9(2)13-7-11-5-6-12(15-11)8-14-10(3)4/h9-13H,5-8H2,1-4H3
InChIKeyFMHSWDRMODXWQG-UHFFFAOYSA-N
MW231.40 g/mol
LogP2.67
Rot. Bonds6

About N-[[5-(propan-2-yloxymethyl)thiolan-2-yl]methyl]propan-2-amine

N-[[5-(propan-2-yloxymethyl)thiolan-2-yl]methyl]propan-2-amine (PubChem CID 176646147) has the molecular formula C12H25NOS and a molecular weight of 231.40 g/mol. Its IUPAC name is N-[[5-(propan-2-yloxymethyl)thiolan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(propan-2-yloxymethyl)thiolan-2-yl]methyl]propan-2-amine
PubChem CID176646147
Molecular FormulaC12H25NOS
Molecular Weight231.40 g/mol
Exact Mass231.17
IUPAC NameN-[[5-(propan-2-yloxymethyl)thiolan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCC(COC(C)C)S1
InChIInChI=1S/C12H25NOS/c1-9(2)13-7-11-5-6-12(15-11)8-14-10(3)4/h9-13H,5-8H2,1-4H3
InChIKeyFMHSWDRMODXWQG-UHFFFAOYSA-N
XLogP2.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(propan-2-yloxymethyl)thiolan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(propan-2-yloxymethyl)thiolan-2-yl]methyl]propan-2-amine (CID 176646147) is N-[[5-(propan-2-yloxymethyl)thiolan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(propan-2-yloxymethyl)thiolan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(propan-2-yloxymethyl)thiolan-2-yl]methyl]propan-2-amine is CC(C)NCC1CCC(COC(C)C)S1.
What is the InChIKey of N-[[5-(propan-2-yloxymethyl)thiolan-2-yl]methyl]propan-2-amine?
The InChIKey is FMHSWDRMODXWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NOS/c1-9(2)13-7-11-5-6-12(15-11)8-14-10(3)4/h9-13H,5-8H2,1-4H3.
What are the key properties of N-[[5-(propan-2-yloxymethyl)thiolan-2-yl]methyl]propan-2-amine?
N-[[5-(propan-2-yloxymethyl)thiolan-2-yl]methyl]propan-2-amine has a molecular weight of 231.40 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(propan-2-yloxymethyl)thiolan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 176646147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).