N-(3-methoxypropyl)-4-sulfanylbutanamide

C8H17NO2S — CID 58311886

IUPACN-(3-methoxypropyl)-4-sulfanylbutanamide
SMILESCOCCCNC(=O)CCCS
InChIInChI=1S/C8H17NO2S/c1-11-6-3-5-9-8(10)4-2-7-12/h12H,2-7H2,1H3,(H,9,10)
InChIKeyQJYXEYFJDQFDIU-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.85
Rot. Bonds7

About N-(3-methoxypropyl)-4-sulfanylbutanamide

N-(3-methoxypropyl)-4-sulfanylbutanamide (PubChem CID 58311886) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is N-(3-methoxypropyl)-4-sulfanylbutanamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-4-sulfanylbutanamide
PubChem CID58311886
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC NameN-(3-methoxypropyl)-4-sulfanylbutanamide
SMILESCOCCCNC(=O)CCCS
InChIInChI=1S/C8H17NO2S/c1-11-6-3-5-9-8(10)4-2-7-12/h12H,2-7H2,1H3,(H,9,10)
InChIKeyQJYXEYFJDQFDIU-UHFFFAOYSA-N
XLogP0.85
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoylamino]butyl]-11-sulfanylundecanamide
CID 101252962
6-hydroxy-N-(3-methoxypropyl)hexanamide
CID 177359571
N'-(3-methoxypropyl)decanediamide
CID 89083408
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-8-sulfanyloctanamide
CID 71381103
4-sulfanyl-N-[2-(4-sulfanylbutanoylamino)ethyl]butanamide
CID 11817935
7-amino-N-(3-methoxypropyl)heptanamide
CID 43153320
5-methoxy-N-(2-methoxyethyl)pentanamide
CID 58281484
N,N'-bis(2-methoxyethyl)hexanediamide
CID 2933923
3-amino-N-(3-methoxypropyl)propanamide;hydrochloride
CID 56832126
N-pentyl-4-sulfanylbutanamide
CID 88984184
5-(5-methoxypentanoylamino)pentanoic acid
CID 119234359
methyl 5-(4-methoxybutylamino)-5-oxopentanoate
CID 87688310

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-4-sulfanylbutanamide?
The IUPAC name of N-(3-methoxypropyl)-4-sulfanylbutanamide (CID 58311886) is N-(3-methoxypropyl)-4-sulfanylbutanamide.
What is the SMILES notation for N-(3-methoxypropyl)-4-sulfanylbutanamide?
The canonical SMILES for N-(3-methoxypropyl)-4-sulfanylbutanamide is COCCCNC(=O)CCCS.
What is the InChIKey of N-(3-methoxypropyl)-4-sulfanylbutanamide?
The InChIKey is QJYXEYFJDQFDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-11-6-3-5-9-8(10)4-2-7-12/h12H,2-7H2,1H3,(H,9,10).
What are the key properties of N-(3-methoxypropyl)-4-sulfanylbutanamide?
N-(3-methoxypropyl)-4-sulfanylbutanamide has a molecular weight of 191.30 g/mol, XLogP of 0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-4-sulfanylbutanamide is sourced from PubChem (CID 58311886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).