N-sulfanylundecanamide

C11H23NOS — CID 122641714

IUPACN-sulfanylundecanamide
SMILESCCCCCCCCCCC(=O)NS
InChIInChI=1S/C11H23NOS/c1-2-3-4-5-6-7-8-9-10-11(13)12-14/h14H,2-10H2,1H3,(H,12,13)
InChIKeyBCKDPSZDIQEBRJ-UHFFFAOYSA-N
MW217.38 g/mol
LogP3.48
Rot. Bonds9

About N-sulfanylundecanamide

N-sulfanylundecanamide (PubChem CID 122641714) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is N-sulfanylundecanamide.

Molecular Properties

Compound NameN-sulfanylundecanamide
PubChem CID122641714
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC NameN-sulfanylundecanamide
SMILESCCCCCCCCCCC(=O)NS
InChIInChI=1S/C11H23NOS/c1-2-3-4-5-6-7-8-9-10-11(13)12-14/h14H,2-10H2,1H3,(H,12,13)
InChIKeyBCKDPSZDIQEBRJ-UHFFFAOYSA-N
XLogP3.48
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-methyl-N'-sulfanylnonanediamide
CID 143363504
N-decanoyldecanamide
CID 87914075
1-N',9-N'-di(heptanoyl)nonanedihydrazide
CID 154340616
N-sulfanylbutanamide
CID 18680505
N-[2-(sulfanylamino)ethyl]heptanamide
CID 123216735
N-methylheptacosanamide
CID 18175889
N-hydroxytridecanamide
CID 14122613
N-octanoyloctanamide;hydrobromide
CID 175059894
N-methylnonadecanamide
CID 2724821
N-methylundecanamide
CID 23297450
heptacosane-10,12-dione
CID 14235516
pentacosane-7,19-dione
CID 139254510

Frequently Asked Questions

What is the IUPAC name of N-sulfanylundecanamide?
The IUPAC name of N-sulfanylundecanamide (CID 122641714) is N-sulfanylundecanamide.
What is the SMILES notation for N-sulfanylundecanamide?
The canonical SMILES for N-sulfanylundecanamide is CCCCCCCCCCC(=O)NS.
What is the InChIKey of N-sulfanylundecanamide?
The InChIKey is BCKDPSZDIQEBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-2-3-4-5-6-7-8-9-10-11(13)12-14/h14H,2-10H2,1H3,(H,12,13).
What are the key properties of N-sulfanylundecanamide?
N-sulfanylundecanamide has a molecular weight of 217.38 g/mol, XLogP of 3.48, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-sulfanylundecanamide is sourced from PubChem (CID 122641714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).