N-(2-methyl-3-methylsulfanylpropyl)oxolan-3-amine

C9H19NOS — CID 63982540

IUPACN-(2-methyl-3-methylsulfanylpropyl)oxolan-3-amine
SMILESCSCC(C)CNC1CCOC1
InChIInChI=1S/C9H19NOS/c1-8(7-12-2)5-10-9-3-4-11-6-9/h8-10H,3-7H2,1-2H3
InChIKeyACQOSWMBXOKTCN-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.36
Rot. Bonds5

About N-(2-methyl-3-methylsulfanylpropyl)oxolan-3-amine

N-(2-methyl-3-methylsulfanylpropyl)oxolan-3-amine (PubChem CID 63982540) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is N-(2-methyl-3-methylsulfanylpropyl)oxolan-3-amine.

Molecular Properties

Compound NameN-(2-methyl-3-methylsulfanylpropyl)oxolan-3-amine
PubChem CID63982540
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC NameN-(2-methyl-3-methylsulfanylpropyl)oxolan-3-amine
SMILESCSCC(C)CNC1CCOC1
InChIInChI=1S/C9H19NOS/c1-8(7-12-2)5-10-9-3-4-11-6-9/h8-10H,3-7H2,1-2H3
InChIKeyACQOSWMBXOKTCN-UHFFFAOYSA-N
XLogP1.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-methylsulfanylpropyl)oxolan-3-amine?
The IUPAC name of N-(2-methyl-3-methylsulfanylpropyl)oxolan-3-amine (CID 63982540) is N-(2-methyl-3-methylsulfanylpropyl)oxolan-3-amine.
What is the SMILES notation for N-(2-methyl-3-methylsulfanylpropyl)oxolan-3-amine?
The canonical SMILES for N-(2-methyl-3-methylsulfanylpropyl)oxolan-3-amine is CSCC(C)CNC1CCOC1.
What is the InChIKey of N-(2-methyl-3-methylsulfanylpropyl)oxolan-3-amine?
The InChIKey is ACQOSWMBXOKTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-8(7-12-2)5-10-9-3-4-11-6-9/h8-10H,3-7H2,1-2H3.
What are the key properties of N-(2-methyl-3-methylsulfanylpropyl)oxolan-3-amine?
N-(2-methyl-3-methylsulfanylpropyl)oxolan-3-amine has a molecular weight of 189.32 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-methylsulfanylpropyl)oxolan-3-amine is sourced from PubChem (CID 63982540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).