N-(5-methylthiolan-3-yl)morpholin-4-amine

C9H18N2OS — CID 83009243

IUPACN-(5-methylthiolan-3-yl)morpholin-4-amine
SMILESCC1CC(NN2CCOCC2)CS1
InChIInChI=1S/C9H18N2OS/c1-8-6-9(7-13-8)10-11-2-4-12-5-3-11/h8-10H,2-7H2,1H3
InChIKeyRKGXRNSAHWQZAS-UHFFFAOYSA-N
MW202.32 g/mol
LogP0.72
Rot. Bonds2

About N-(5-methylthiolan-3-yl)morpholin-4-amine

N-(5-methylthiolan-3-yl)morpholin-4-amine (PubChem CID 83009243) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is N-(5-methylthiolan-3-yl)morpholin-4-amine.

Molecular Properties

Compound NameN-(5-methylthiolan-3-yl)morpholin-4-amine
PubChem CID83009243
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC NameN-(5-methylthiolan-3-yl)morpholin-4-amine
SMILESCC1CC(NN2CCOCC2)CS1
InChIInChI=1S/C9H18N2OS/c1-8-6-9(7-13-8)10-11-2-4-12-5-3-11/h8-10H,2-7H2,1H3
InChIKeyRKGXRNSAHWQZAS-UHFFFAOYSA-N
XLogP0.72
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-methylthiolan-3-yl)morpholin-4-amine?
The IUPAC name of N-(5-methylthiolan-3-yl)morpholin-4-amine (CID 83009243) is N-(5-methylthiolan-3-yl)morpholin-4-amine.
What is the SMILES notation for N-(5-methylthiolan-3-yl)morpholin-4-amine?
The canonical SMILES for N-(5-methylthiolan-3-yl)morpholin-4-amine is CC1CC(NN2CCOCC2)CS1.
What is the InChIKey of N-(5-methylthiolan-3-yl)morpholin-4-amine?
The InChIKey is RKGXRNSAHWQZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS/c1-8-6-9(7-13-8)10-11-2-4-12-5-3-11/h8-10H,2-7H2,1H3.
What are the key properties of N-(5-methylthiolan-3-yl)morpholin-4-amine?
N-(5-methylthiolan-3-yl)morpholin-4-amine has a molecular weight of 202.32 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylthiolan-3-yl)morpholin-4-amine is sourced from PubChem (CID 83009243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).