2-(1-methoxypropan-2-ylsulfanyl)propan-1-amine

C7H17NOS — CID 66244570

IUPAC2-(1-methoxypropan-2-ylsulfanyl)propan-1-amine
SMILESCOCC(C)SC(C)CN
InChIInChI=1S/C7H17NOS/c1-6(4-8)10-7(2)5-9-3/h6-7H,4-5,8H2,1-3H3
InChIKeyWFAULGUBRIHQGJ-UHFFFAOYSA-N
MW163.29 g/mol
LogP1.10
Rot. Bonds5

About 2-(1-methoxypropan-2-ylsulfanyl)propan-1-amine

2-(1-methoxypropan-2-ylsulfanyl)propan-1-amine (PubChem CID 66244570) has the molecular formula C7H17NOS and a molecular weight of 163.29 g/mol. Its IUPAC name is 2-(1-methoxypropan-2-ylsulfanyl)propan-1-amine.

Molecular Properties

Compound Name2-(1-methoxypropan-2-ylsulfanyl)propan-1-amine
PubChem CID66244570
Molecular FormulaC7H17NOS
Molecular Weight163.29 g/mol
Exact Mass163.10
IUPAC Name2-(1-methoxypropan-2-ylsulfanyl)propan-1-amine
SMILESCOCC(C)SC(C)CN
InChIInChI=1S/C7H17NOS/c1-6(4-8)10-7(2)5-9-3/h6-7H,4-5,8H2,1-3H3
InChIKeyWFAULGUBRIHQGJ-UHFFFAOYSA-N
XLogP1.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.29
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-2-methylsulfanylpropane
CID 130750240
3-methoxy-2-(methoxymethyl)propan-1-amine;hydrochloride
CID 154577691
2-ethylsulfanyl-1-methoxypropane
CID 126992573
2-[2-(2-methoxyethoxy)ethylsulfanyl]propan-1-amine
CID 66219333
(2R)-4-methoxy-3-methylbutan-2-amine
CID 134348590
2,4-dimethoxy-3-methylbutan-1-amine
CID 116503390
3-fluoro-4-methoxy-2-propan-2-ylbutan-1-amine
CID 107443598
6-methoxy-2-methylhexan-1-amine
CID 64666005
[5-(1-methoxypropan-2-ylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 102630315
ethyl 2-(1-aminopropan-2-ylsulfanyl)butanoate
CID 66242652
2-(1-aminopropan-2-ylsulfanyl)-N-(2-methoxyethyl)acetamide
CID 66244137
3-(1-methoxypropan-2-ylsulfanyl)propan-1-ol
CID 66129136

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxypropan-2-ylsulfanyl)propan-1-amine?
The IUPAC name of 2-(1-methoxypropan-2-ylsulfanyl)propan-1-amine (CID 66244570) is 2-(1-methoxypropan-2-ylsulfanyl)propan-1-amine.
What is the SMILES notation for 2-(1-methoxypropan-2-ylsulfanyl)propan-1-amine?
The canonical SMILES for 2-(1-methoxypropan-2-ylsulfanyl)propan-1-amine is COCC(C)SC(C)CN.
What is the InChIKey of 2-(1-methoxypropan-2-ylsulfanyl)propan-1-amine?
The InChIKey is WFAULGUBRIHQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NOS/c1-6(4-8)10-7(2)5-9-3/h6-7H,4-5,8H2,1-3H3.
What are the key properties of 2-(1-methoxypropan-2-ylsulfanyl)propan-1-amine?
2-(1-methoxypropan-2-ylsulfanyl)propan-1-amine has a molecular weight of 163.29 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxypropan-2-ylsulfanyl)propan-1-amine is sourced from PubChem (CID 66244570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).