2-methyl-N-(1-methylsulfanylpropan-2-yl)oxan-4-amine

C10H21NOS — CID 115898487

IUPAC2-methyl-N-(1-methylsulfanylpropan-2-yl)oxan-4-amine
SMILESCSCC(C)NC1CCOC(C)C1
InChIInChI=1S/C10H21NOS/c1-8(7-13-3)11-10-4-5-12-9(2)6-10/h8-11H,4-7H2,1-3H3
InChIKeyKWAIKNWSXNPUOY-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.89
Rot. Bonds4

About 2-methyl-N-(1-methylsulfanylpropan-2-yl)oxan-4-amine

2-methyl-N-(1-methylsulfanylpropan-2-yl)oxan-4-amine (PubChem CID 115898487) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 2-methyl-N-(1-methylsulfanylpropan-2-yl)oxan-4-amine.

Molecular Properties

Compound Name2-methyl-N-(1-methylsulfanylpropan-2-yl)oxan-4-amine
PubChem CID115898487
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name2-methyl-N-(1-methylsulfanylpropan-2-yl)oxan-4-amine
SMILESCSCC(C)NC1CCOC(C)C1
InChIInChI=1S/C10H21NOS/c1-8(7-13-3)11-10-4-5-12-9(2)6-10/h8-11H,4-7H2,1-3H3
InChIKeyKWAIKNWSXNPUOY-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine
CID 103910410
2,6-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine
CID 103920477
2-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine
CID 106427274
2-propyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine
CID 113362653
N-ethyl-3-methylsulfanyloxan-4-amine
CID 64626479
N-tert-butyl-3-methylsulfanyloxan-4-amine
CID 166770556
3-(3-methylsulfanylpropoxy)-N-propylcyclobutan-1-amine
CID 169934389
N-ethyl-3-(3-methylsulfanylpropoxy)cyclobutan-1-amine
CID 170250840
N-[[5-(propan-2-yloxymethyl)thiolan-2-yl]methyl]propan-2-amine
CID 176646147
(3R)-N-(3-cyclohexyloxypropyl)thiolan-3-amine
CID 28720066
(3S)-N-(3-cyclohexyloxypropyl)thiolan-3-amine
CID 28720070
3-cyclohexyloxy-N-(3-methylsulfanylpropyl)propan-1-amine
CID 28720334

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-methylsulfanylpropan-2-yl)oxan-4-amine?
The IUPAC name of 2-methyl-N-(1-methylsulfanylpropan-2-yl)oxan-4-amine (CID 115898487) is 2-methyl-N-(1-methylsulfanylpropan-2-yl)oxan-4-amine.
What is the SMILES notation for 2-methyl-N-(1-methylsulfanylpropan-2-yl)oxan-4-amine?
The canonical SMILES for 2-methyl-N-(1-methylsulfanylpropan-2-yl)oxan-4-amine is CSCC(C)NC1CCOC(C)C1.
What is the InChIKey of 2-methyl-N-(1-methylsulfanylpropan-2-yl)oxan-4-amine?
The InChIKey is KWAIKNWSXNPUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-8(7-13-3)11-10-4-5-12-9(2)6-10/h8-11H,4-7H2,1-3H3.
What are the key properties of 2-methyl-N-(1-methylsulfanylpropan-2-yl)oxan-4-amine?
2-methyl-N-(1-methylsulfanylpropan-2-yl)oxan-4-amine has a molecular weight of 203.35 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-methylsulfanylpropan-2-yl)oxan-4-amine is sourced from PubChem (CID 115898487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).