N-(2-methyl-2-methylsulfanylpropyl)oxan-4-amine

C10H21NOS — CID 115664541

IUPACN-(2-methyl-2-methylsulfanylpropyl)oxan-4-amine
SMILESCSC(C)(C)CNC1CCOCC1
InChIInChI=1S/C10H21NOS/c1-10(2,13-3)8-11-9-4-6-12-7-5-9/h9,11H,4-8H2,1-3H3
InChIKeyFIXNDMLEVPPFQC-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.90
Rot. Bonds4

About N-(2-methyl-2-methylsulfanylpropyl)oxan-4-amine

N-(2-methyl-2-methylsulfanylpropyl)oxan-4-amine (PubChem CID 115664541) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is N-(2-methyl-2-methylsulfanylpropyl)oxan-4-amine.

Molecular Properties

Compound NameN-(2-methyl-2-methylsulfanylpropyl)oxan-4-amine
PubChem CID115664541
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC NameN-(2-methyl-2-methylsulfanylpropyl)oxan-4-amine
SMILESCSC(C)(C)CNC1CCOCC1
InChIInChI=1S/C10H21NOS/c1-10(2,13-3)8-11-9-4-6-12-7-5-9/h9,11H,4-8H2,1-3H3
InChIKeyFIXNDMLEVPPFQC-UHFFFAOYSA-N
XLogP1.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
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-(2-methyl-2-methylsulfanylpropyl)oxan-4-amine?
The IUPAC name of N-(2-methyl-2-methylsulfanylpropyl)oxan-4-amine (CID 115664541) is N-(2-methyl-2-methylsulfanylpropyl)oxan-4-amine.
What is the SMILES notation for N-(2-methyl-2-methylsulfanylpropyl)oxan-4-amine?
The canonical SMILES for N-(2-methyl-2-methylsulfanylpropyl)oxan-4-amine is CSC(C)(C)CNC1CCOCC1.
What is the InChIKey of N-(2-methyl-2-methylsulfanylpropyl)oxan-4-amine?
The InChIKey is FIXNDMLEVPPFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-10(2,13-3)8-11-9-4-6-12-7-5-9/h9,11H,4-8H2,1-3H3.
What are the key properties of N-(2-methyl-2-methylsulfanylpropyl)oxan-4-amine?
N-(2-methyl-2-methylsulfanylpropyl)oxan-4-amine has a molecular weight of 203.35 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-methylsulfanylpropyl)oxan-4-amine is sourced from PubChem (CID 115664541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).