(2S)-2-amino-4-methyl-N-(2-sulfanylethyl)pentanamide

C8H18N2OS — CID 3078313

IUPAC(2S)-2-amino-4-methyl-N-(2-sulfanylethyl)pentanamide
SMILESCC(C)C[C@H](N)C(=O)NCCS
InChIInChI=1S/C8H18N2OS/c1-6(2)5-7(9)8(11)10-3-4-12/h6-7,12H,3-5,9H2,1-2H3,(H,10,11)/t7-/m0/s1
InChIKeyQCSNUCDGMRLGGP-ZETCQYMHSA-N
MW190.31 g/mol
LogP0.41
Rot. Bonds5

About (2S)-2-amino-4-methyl-N-(2-sulfanylethyl)pentanamide

(2S)-2-amino-4-methyl-N-(2-sulfanylethyl)pentanamide (PubChem CID 3078313) has the molecular formula C8H18N2OS and a molecular weight of 190.31 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-(2-sulfanylethyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-(2-sulfanylethyl)pentanamide
PubChem CID3078313
Molecular FormulaC8H18N2OS
Molecular Weight190.31 g/mol
Exact Mass190.11
IUPAC Name(2S)-2-amino-4-methyl-N-(2-sulfanylethyl)pentanamide
SMILESCC(C)C[C@H](N)C(=O)NCCS
InChIInChI=1S/C8H18N2OS/c1-6(2)5-7(9)8(11)10-3-4-12/h6-7,12H,3-5,9H2,1-2H3,(H,10,11)/t7-/m0/s1
InChIKeyQCSNUCDGMRLGGP-ZETCQYMHSA-N
XLogP0.41
TPSA55.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-(2-sulfanylethyl)pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-(2-sulfanylethyl)pentanamide (CID 3078313) is (2S)-2-amino-4-methyl-N-(2-sulfanylethyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-(2-sulfanylethyl)pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-(2-sulfanylethyl)pentanamide is CC(C)C[C@H](N)C(=O)NCCS.
What is the InChIKey of (2S)-2-amino-4-methyl-N-(2-sulfanylethyl)pentanamide?
The InChIKey is QCSNUCDGMRLGGP-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H18N2OS/c1-6(2)5-7(9)8(11)10-3-4-12/h6-7,12H,3-5,9H2,1-2H3,(H,10,11)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-(2-sulfanylethyl)pentanamide?
(2S)-2-amino-4-methyl-N-(2-sulfanylethyl)pentanamide has a molecular weight of 190.31 g/mol, XLogP of 0.41, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-(2-sulfanylethyl)pentanamide is sourced from PubChem (CID 3078313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).