(2S)-1-ethylsulfanyl-4-methylpentan-2-amine

C8H19NS — CID 54234050

IUPAC(2S)-1-ethylsulfanyl-4-methylpentan-2-amine
SMILESCCSC[C@@H](N)CC(C)C
InChIInChI=1S/C8H19NS/c1-4-10-6-8(9)5-7(2)3/h7-8H,4-6,9H2,1-3H3/t8-/m0/s1
InChIKeyQLHCAVZIZXKWBX-QMMMGPOBSA-N
MW161.31 g/mol
LogP2.11
Rot. Bonds5

About (2S)-1-ethylsulfanyl-4-methylpentan-2-amine

(2S)-1-ethylsulfanyl-4-methylpentan-2-amine (PubChem CID 54234050) has the molecular formula C8H19NS and a molecular weight of 161.31 g/mol. Its IUPAC name is (2S)-1-ethylsulfanyl-4-methylpentan-2-amine.

Molecular Properties

Compound Name(2S)-1-ethylsulfanyl-4-methylpentan-2-amine
PubChem CID54234050
Molecular FormulaC8H19NS
Molecular Weight161.31 g/mol
Exact Mass161.12
IUPAC Name(2S)-1-ethylsulfanyl-4-methylpentan-2-amine
SMILESCCSC[C@@H](N)CC(C)C
InChIInChI=1S/C8H19NS/c1-4-10-6-8(9)5-7(2)3/h7-8H,4-6,9H2,1-3H3/t8-/m0/s1
InChIKeyQLHCAVZIZXKWBX-QMMMGPOBSA-N
XLogP2.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-ethylsulfanyl-4-methylpentan-2-amine?
The IUPAC name of (2S)-1-ethylsulfanyl-4-methylpentan-2-amine (CID 54234050) is (2S)-1-ethylsulfanyl-4-methylpentan-2-amine.
What is the SMILES notation for (2S)-1-ethylsulfanyl-4-methylpentan-2-amine?
The canonical SMILES for (2S)-1-ethylsulfanyl-4-methylpentan-2-amine is CCSC[C@@H](N)CC(C)C.
What is the InChIKey of (2S)-1-ethylsulfanyl-4-methylpentan-2-amine?
The InChIKey is QLHCAVZIZXKWBX-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H19NS/c1-4-10-6-8(9)5-7(2)3/h7-8H,4-6,9H2,1-3H3/t8-/m0/s1.
What are the key properties of (2S)-1-ethylsulfanyl-4-methylpentan-2-amine?
(2S)-1-ethylsulfanyl-4-methylpentan-2-amine has a molecular weight of 161.31 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-ethylsulfanyl-4-methylpentan-2-amine is sourced from PubChem (CID 54234050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).