(2S)-2-(ethylamino)-4-methylsulfanylbutan-1-ol

C7H17NOS — CID 88586066

IUPAC(2S)-2-(ethylamino)-4-methylsulfanylbutan-1-ol
SMILESCCN[C@H](CO)CCSC
InChIInChI=1S/C7H17NOS/c1-3-8-7(6-9)4-5-10-2/h7-9H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyCYMVPBPBYKTULO-ZETCQYMHSA-N
MW163.29 g/mol
LogP0.71
Rot. Bonds6

About (2S)-2-(ethylamino)-4-methylsulfanylbutan-1-ol

(2S)-2-(ethylamino)-4-methylsulfanylbutan-1-ol (PubChem CID 88586066) has the molecular formula C7H17NOS and a molecular weight of 163.29 g/mol. Its IUPAC name is (2S)-2-(ethylamino)-4-methylsulfanylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-(ethylamino)-4-methylsulfanylbutan-1-ol
PubChem CID88586066
Molecular FormulaC7H17NOS
Molecular Weight163.29 g/mol
Exact Mass163.10
IUPAC Name(2S)-2-(ethylamino)-4-methylsulfanylbutan-1-ol
SMILESCCN[C@H](CO)CCSC
InChIInChI=1S/C7H17NOS/c1-3-8-7(6-9)4-5-10-2/h7-9H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyCYMVPBPBYKTULO-ZETCQYMHSA-N
XLogP0.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.29
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(ethylamino)-4-methylsulfanylbutan-1-ol?
The IUPAC name of (2S)-2-(ethylamino)-4-methylsulfanylbutan-1-ol (CID 88586066) is (2S)-2-(ethylamino)-4-methylsulfanylbutan-1-ol.
What is the SMILES notation for (2S)-2-(ethylamino)-4-methylsulfanylbutan-1-ol?
The canonical SMILES for (2S)-2-(ethylamino)-4-methylsulfanylbutan-1-ol is CCN[C@H](CO)CCSC.
What is the InChIKey of (2S)-2-(ethylamino)-4-methylsulfanylbutan-1-ol?
The InChIKey is CYMVPBPBYKTULO-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H17NOS/c1-3-8-7(6-9)4-5-10-2/h7-9H,3-6H2,1-2H3/t7-/m0/s1.
What are the key properties of (2S)-2-(ethylamino)-4-methylsulfanylbutan-1-ol?
(2S)-2-(ethylamino)-4-methylsulfanylbutan-1-ol has a molecular weight of 163.29 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(ethylamino)-4-methylsulfanylbutan-1-ol is sourced from PubChem (CID 88586066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).