N-(oxolan-3-ylmethyl)thian-3-amine

C10H19NOS — CID 62871452

IUPACN-(oxolan-3-ylmethyl)thian-3-amine
SMILESC1CSCC(NCC2CCOC2)C1
InChIInChI=1S/C10H19NOS/c1-2-10(8-13-5-1)11-6-9-3-4-12-7-9/h9-11H,1-8H2
InChIKeyKMZDTEGVCAVIFH-UHFFFAOYSA-N
MW201.33 g/mol
LogP1.51
Rot. Bonds3

About N-(oxolan-3-ylmethyl)thian-3-amine

N-(oxolan-3-ylmethyl)thian-3-amine (PubChem CID 62871452) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)thian-3-amine.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)thian-3-amine
PubChem CID62871452
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC NameN-(oxolan-3-ylmethyl)thian-3-amine
SMILESC1CSCC(NCC2CCOC2)C1
InChIInChI=1S/C10H19NOS/c1-2-10(8-13-5-1)11-6-9-3-4-12-7-9/h9-11H,1-8H2
InChIKeyKMZDTEGVCAVIFH-UHFFFAOYSA-N
XLogP1.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)thian-3-amine?
The IUPAC name of N-(oxolan-3-ylmethyl)thian-3-amine (CID 62871452) is N-(oxolan-3-ylmethyl)thian-3-amine.
What is the SMILES notation for N-(oxolan-3-ylmethyl)thian-3-amine?
The canonical SMILES for N-(oxolan-3-ylmethyl)thian-3-amine is C1CSCC(NCC2CCOC2)C1.
What is the InChIKey of N-(oxolan-3-ylmethyl)thian-3-amine?
The InChIKey is KMZDTEGVCAVIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS/c1-2-10(8-13-5-1)11-6-9-3-4-12-7-9/h9-11H,1-8H2.
What are the key properties of N-(oxolan-3-ylmethyl)thian-3-amine?
N-(oxolan-3-ylmethyl)thian-3-amine has a molecular weight of 201.33 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)thian-3-amine is sourced from PubChem (CID 62871452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).