5-methyl-N-(3-methylpentan-2-yl)thiolan-3-amine

C11H23NS — CID 79950674

IUPAC5-methyl-N-(3-methylpentan-2-yl)thiolan-3-amine
SMILESCCC(C)C(C)NC1CSC(C)C1
InChIInChI=1S/C11H23NS/c1-5-8(2)10(4)12-11-6-9(3)13-7-11/h8-12H,5-7H2,1-4H3
InChIKeyNQZBRAFDGZZXSV-UHFFFAOYSA-N
MW201.38 g/mol
LogP2.90
Rot. Bonds4

About 5-methyl-N-(3-methylpentan-2-yl)thiolan-3-amine

5-methyl-N-(3-methylpentan-2-yl)thiolan-3-amine (PubChem CID 79950674) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is 5-methyl-N-(3-methylpentan-2-yl)thiolan-3-amine.

Molecular Properties

Compound Name5-methyl-N-(3-methylpentan-2-yl)thiolan-3-amine
PubChem CID79950674
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name5-methyl-N-(3-methylpentan-2-yl)thiolan-3-amine
SMILESCCC(C)C(C)NC1CSC(C)C1
InChIInChI=1S/C11H23NS/c1-5-8(2)10(4)12-11-6-9(3)13-7-11/h8-12H,5-7H2,1-4H3
InChIKeyNQZBRAFDGZZXSV-UHFFFAOYSA-N
XLogP2.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(3-methylpentan-2-yl)thiolan-3-amine?
The IUPAC name of 5-methyl-N-(3-methylpentan-2-yl)thiolan-3-amine (CID 79950674) is 5-methyl-N-(3-methylpentan-2-yl)thiolan-3-amine.
What is the SMILES notation for 5-methyl-N-(3-methylpentan-2-yl)thiolan-3-amine?
The canonical SMILES for 5-methyl-N-(3-methylpentan-2-yl)thiolan-3-amine is CCC(C)C(C)NC1CSC(C)C1.
What is the InChIKey of 5-methyl-N-(3-methylpentan-2-yl)thiolan-3-amine?
The InChIKey is NQZBRAFDGZZXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-5-8(2)10(4)12-11-6-9(3)13-7-11/h8-12H,5-7H2,1-4H3.
What are the key properties of 5-methyl-N-(3-methylpentan-2-yl)thiolan-3-amine?
5-methyl-N-(3-methylpentan-2-yl)thiolan-3-amine has a molecular weight of 201.38 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(3-methylpentan-2-yl)thiolan-3-amine is sourced from PubChem (CID 79950674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).