(2S)-N-ethyl-N,3-dimethyl-2-(methyldisulfanyl)pentanamide

C10H21NOS2 — CID 155048787

IUPAC(2S)-N-ethyl-N,3-dimethyl-2-(methyldisulfanyl)pentanamide
SMILESCCC(C)[C@H](SSC)C(=O)N(C)CC
InChIInChI=1S/C10H21NOS2/c1-6-8(3)9(14-13-5)10(12)11(4)7-2/h8-9H,6-7H2,1-5H3/t8?,9-/m0/s1
InChIKeyFPVLMXJKXSYSFP-GKAPJAKFSA-N
MW235.42 g/mol
LogP2.89
Rot. Bonds6

About (2S)-N-ethyl-N,3-dimethyl-2-(methyldisulfanyl)pentanamide

(2S)-N-ethyl-N,3-dimethyl-2-(methyldisulfanyl)pentanamide (PubChem CID 155048787) has the molecular formula C10H21NOS2 and a molecular weight of 235.42 g/mol. Its IUPAC name is (2S)-N-ethyl-N,3-dimethyl-2-(methyldisulfanyl)pentanamide.

Molecular Properties

Compound Name(2S)-N-ethyl-N,3-dimethyl-2-(methyldisulfanyl)pentanamide
PubChem CID155048787
Molecular FormulaC10H21NOS2
Molecular Weight235.42 g/mol
Exact Mass235.11
IUPAC Name(2S)-N-ethyl-N,3-dimethyl-2-(methyldisulfanyl)pentanamide
SMILESCCC(C)[C@H](SSC)C(=O)N(C)CC
InChIInChI=1S/C10H21NOS2/c1-6-8(3)9(14-13-5)10(12)11(4)7-2/h8-9H,6-7H2,1-5H3/t8?,9-/m0/s1
InChIKeyFPVLMXJKXSYSFP-GKAPJAKFSA-N
XLogP2.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.42
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethyl-N,3-dimethyl-2-(methyldisulfanyl)pentanamide?
The IUPAC name of (2S)-N-ethyl-N,3-dimethyl-2-(methyldisulfanyl)pentanamide (CID 155048787) is (2S)-N-ethyl-N,3-dimethyl-2-(methyldisulfanyl)pentanamide.
What is the SMILES notation for (2S)-N-ethyl-N,3-dimethyl-2-(methyldisulfanyl)pentanamide?
The canonical SMILES for (2S)-N-ethyl-N,3-dimethyl-2-(methyldisulfanyl)pentanamide is CCC(C)[C@H](SSC)C(=O)N(C)CC.
What is the InChIKey of (2S)-N-ethyl-N,3-dimethyl-2-(methyldisulfanyl)pentanamide?
The InChIKey is FPVLMXJKXSYSFP-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H21NOS2/c1-6-8(3)9(14-13-5)10(12)11(4)7-2/h8-9H,6-7H2,1-5H3/t8?,9-/m0/s1.
What are the key properties of (2S)-N-ethyl-N,3-dimethyl-2-(methyldisulfanyl)pentanamide?
(2S)-N-ethyl-N,3-dimethyl-2-(methyldisulfanyl)pentanamide has a molecular weight of 235.42 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethyl-N,3-dimethyl-2-(methyldisulfanyl)pentanamide is sourced from PubChem (CID 155048787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).