N-(oxan-4-ylmethyl)thian-4-amine

C11H21NOS — CID 62351924

IUPACN-(oxan-4-ylmethyl)thian-4-amine
SMILESC1CC(CNC2CCSCC2)CCO1
InChIInChI=1S/C11H21NOS/c1-5-13-6-2-10(1)9-12-11-3-7-14-8-4-11/h10-12H,1-9H2
InChIKeyVRBSCNMWSOVCGG-UHFFFAOYSA-N
MW215.36 g/mol
LogP1.90
Rot. Bonds3

About N-(oxan-4-ylmethyl)thian-4-amine

N-(oxan-4-ylmethyl)thian-4-amine (PubChem CID 62351924) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)thian-4-amine.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)thian-4-amine
PubChem CID62351924
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC NameN-(oxan-4-ylmethyl)thian-4-amine
SMILESC1CC(CNC2CCSCC2)CCO1
InChIInChI=1S/C11H21NOS/c1-5-13-6-2-10(1)9-12-11-3-7-14-8-4-11/h10-12H,1-9H2
InChIKeyVRBSCNMWSOVCGG-UHFFFAOYSA-N
XLogP1.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylmethyl)thian-4-amine?
The IUPAC name of N-(oxan-4-ylmethyl)thian-4-amine (CID 62351924) is N-(oxan-4-ylmethyl)thian-4-amine.
What is the SMILES notation for N-(oxan-4-ylmethyl)thian-4-amine?
The canonical SMILES for N-(oxan-4-ylmethyl)thian-4-amine is C1CC(CNC2CCSCC2)CCO1.
What is the InChIKey of N-(oxan-4-ylmethyl)thian-4-amine?
The InChIKey is VRBSCNMWSOVCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c1-5-13-6-2-10(1)9-12-11-3-7-14-8-4-11/h10-12H,1-9H2.
What are the key properties of N-(oxan-4-ylmethyl)thian-4-amine?
N-(oxan-4-ylmethyl)thian-4-amine has a molecular weight of 215.36 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethyl)thian-4-amine is sourced from PubChem (CID 62351924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).