3-ethylsulfanyl-2-methylpropan-1-amine

C6H15NS — CID 43530024

IUPAC3-ethylsulfanyl-2-methylpropan-1-amine
SMILESCCSCC(C)CN
InChIInChI=1S/C6H15NS/c1-3-8-5-6(2)4-7/h6H,3-5,7H2,1-2H3
InChIKeyMRGYZULSBYJUAU-UHFFFAOYSA-N
MW133.26 g/mol
LogP1.33
Rot. Bonds4

About 3-ethylsulfanyl-2-methylpropan-1-amine

3-ethylsulfanyl-2-methylpropan-1-amine (PubChem CID 43530024) has the molecular formula C6H15NS and a molecular weight of 133.26 g/mol. Its IUPAC name is 3-ethylsulfanyl-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-ethylsulfanyl-2-methylpropan-1-amine
PubChem CID43530024
Molecular FormulaC6H15NS
Molecular Weight133.26 g/mol
Exact Mass133.09
IUPAC Name3-ethylsulfanyl-2-methylpropan-1-amine
SMILESCCSCC(C)CN
InChIInChI=1S/C6H15NS/c1-3-8-5-6(2)4-7/h6H,3-5,7H2,1-2H3
InChIKeyMRGYZULSBYJUAU-UHFFFAOYSA-N
XLogP1.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.26
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-2-methylpropan-1-amine?
The IUPAC name of 3-ethylsulfanyl-2-methylpropan-1-amine (CID 43530024) is 3-ethylsulfanyl-2-methylpropan-1-amine.
What is the SMILES notation for 3-ethylsulfanyl-2-methylpropan-1-amine?
The canonical SMILES for 3-ethylsulfanyl-2-methylpropan-1-amine is CCSCC(C)CN.
What is the InChIKey of 3-ethylsulfanyl-2-methylpropan-1-amine?
The InChIKey is MRGYZULSBYJUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NS/c1-3-8-5-6(2)4-7/h6H,3-5,7H2,1-2H3.
What are the key properties of 3-ethylsulfanyl-2-methylpropan-1-amine?
3-ethylsulfanyl-2-methylpropan-1-amine has a molecular weight of 133.26 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-2-methylpropan-1-amine is sourced from PubChem (CID 43530024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).