N-ethyl-5-sulfanyl-2-(sulfanylmethyl)pentanamide

C8H17NOS2 — CID 23104534

IUPACN-ethyl-5-sulfanyl-2-(sulfanylmethyl)pentanamide
SMILESCCNC(=O)C(CS)CCCS
InChIInChI=1S/C8H17NOS2/c1-2-9-8(10)7(6-12)4-3-5-11/h7,11-12H,2-6H2,1H3,(H,9,10)
InChIKeyQCEQLMSDOUQSDN-UHFFFAOYSA-N
MW207.36 g/mol
LogP1.38
Rot. Bonds6

About N-ethyl-5-sulfanyl-2-(sulfanylmethyl)pentanamide

N-ethyl-5-sulfanyl-2-(sulfanylmethyl)pentanamide (PubChem CID 23104534) has the molecular formula C8H17NOS2 and a molecular weight of 207.36 g/mol. Its IUPAC name is N-ethyl-5-sulfanyl-2-(sulfanylmethyl)pentanamide.

Molecular Properties

Compound NameN-ethyl-5-sulfanyl-2-(sulfanylmethyl)pentanamide
PubChem CID23104534
Molecular FormulaC8H17NOS2
Molecular Weight207.36 g/mol
Exact Mass207.08
IUPAC NameN-ethyl-5-sulfanyl-2-(sulfanylmethyl)pentanamide
SMILESCCNC(=O)C(CS)CCCS
InChIInChI=1S/C8H17NOS2/c1-2-9-8(10)7(6-12)4-3-5-11/h7,11-12H,2-6H2,1H3,(H,9,10)
InChIKeyQCEQLMSDOUQSDN-UHFFFAOYSA-N
XLogP1.38
TPSA29.10 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 51.38
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 N-ethyl-5-sulfanyl-2-(sulfanylmethyl)pentanamide?
The IUPAC name of N-ethyl-5-sulfanyl-2-(sulfanylmethyl)pentanamide (CID 23104534) is N-ethyl-5-sulfanyl-2-(sulfanylmethyl)pentanamide.
What is the SMILES notation for N-ethyl-5-sulfanyl-2-(sulfanylmethyl)pentanamide?
The canonical SMILES for N-ethyl-5-sulfanyl-2-(sulfanylmethyl)pentanamide is CCNC(=O)C(CS)CCCS.
What is the InChIKey of N-ethyl-5-sulfanyl-2-(sulfanylmethyl)pentanamide?
The InChIKey is QCEQLMSDOUQSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS2/c1-2-9-8(10)7(6-12)4-3-5-11/h7,11-12H,2-6H2,1H3,(H,9,10).
What are the key properties of N-ethyl-5-sulfanyl-2-(sulfanylmethyl)pentanamide?
N-ethyl-5-sulfanyl-2-(sulfanylmethyl)pentanamide has a molecular weight of 207.36 g/mol, XLogP of 1.38, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-sulfanyl-2-(sulfanylmethyl)pentanamide is sourced from PubChem (CID 23104534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).