N,2-diethyl-4-sulfanylbutanamide

C8H17NOS — CID 87450544

IUPACN,2-diethyl-4-sulfanylbutanamide
SMILESCCNC(=O)C(CC)CCS
InChIInChI=1S/C8H17NOS/c1-3-7(5-6-11)8(10)9-4-2/h7,11H,3-6H2,1-2H3,(H,9,10)
InChIKeyJRMYTRZPBDMKAK-UHFFFAOYSA-N
MW175.30 g/mol
LogP1.47
Rot. Bonds5

About N,2-diethyl-4-sulfanylbutanamide

N,2-diethyl-4-sulfanylbutanamide (PubChem CID 87450544) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is N,2-diethyl-4-sulfanylbutanamide.

Molecular Properties

Compound NameN,2-diethyl-4-sulfanylbutanamide
PubChem CID87450544
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC NameN,2-diethyl-4-sulfanylbutanamide
SMILESCCNC(=O)C(CC)CCS
InChIInChI=1S/C8H17NOS/c1-3-7(5-6-11)8(10)9-4-2/h7,11H,3-6H2,1-2H3,(H,9,10)
InChIKeyJRMYTRZPBDMKAK-UHFFFAOYSA-N
XLogP1.47
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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2-ethyl-N-undecylpentanamide
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N-ethyl-2-(methoxymethyl)pentanamide
CID 140571323
2-ethyl-N-[3-(2-ethylbutanoylamino)-2-oxopropyl]butanamide
CID 71392094
(2R)-2-amino-N-ethyl-3-sulfanylpropanamide;hydrochloride
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CID 88764909
CID 88764909

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-4-sulfanylbutanamide?
The IUPAC name of N,2-diethyl-4-sulfanylbutanamide (CID 87450544) is N,2-diethyl-4-sulfanylbutanamide.
What is the SMILES notation for N,2-diethyl-4-sulfanylbutanamide?
The canonical SMILES for N,2-diethyl-4-sulfanylbutanamide is CCNC(=O)C(CC)CCS.
What is the InChIKey of N,2-diethyl-4-sulfanylbutanamide?
The InChIKey is JRMYTRZPBDMKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-3-7(5-6-11)8(10)9-4-2/h7,11H,3-6H2,1-2H3,(H,9,10).
What are the key properties of N,2-diethyl-4-sulfanylbutanamide?
N,2-diethyl-4-sulfanylbutanamide has a molecular weight of 175.30 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-4-sulfanylbutanamide is sourced from PubChem (CID 87450544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).