10-[bis(sulfanyl)amino]-10-oxodecanoic acid

C10H19NO3S2 — CID 139658616

IUPAC10-[bis(sulfanyl)amino]-10-oxodecanoic acid
SMILESO=C(O)CCCCCCCCC(=O)N(S)S
InChIInChI=1S/C10H19NO3S2/c12-9(11(15)16)7-5-3-1-2-4-6-8-10(13)14/h15-16H,1-8H2,(H,13,14)
InChIKeyKUPNUZNXLQQZDL-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.71
Rot. Bonds9

About 10-[bis(sulfanyl)amino]-10-oxodecanoic acid

10-[bis(sulfanyl)amino]-10-oxodecanoic acid (PubChem CID 139658616) has the molecular formula C10H19NO3S2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 10-[bis(sulfanyl)amino]-10-oxodecanoic acid.

Molecular Properties

Compound Name10-[bis(sulfanyl)amino]-10-oxodecanoic acid
PubChem CID139658616
Molecular FormulaC10H19NO3S2
Molecular Weight265.40 g/mol
Exact Mass265.08
IUPAC Name10-[bis(sulfanyl)amino]-10-oxodecanoic acid
SMILESO=C(O)CCCCCCCCC(=O)N(S)S
InChIInChI=1S/C10H19NO3S2/c12-9(11(15)16)7-5-3-1-2-4-6-8-10(13)14/h15-16H,1-8H2,(H,13,14)
InChIKeyKUPNUZNXLQQZDL-UHFFFAOYSA-N
XLogP2.71
TPSA57.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 10-[bis(sulfanyl)amino]-10-oxodecanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tridecanedioic acid;undecanedioic acid
CID 158333715
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
heptadecanedioic acid
CID 3083765
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
triacontanedioic acid
CID 5322010
dodecanedioic acid;bis(tridecanedioic acid)
CID 87373965
decanedioic acid;icosanedioic acid
CID 161217033
calcium;decanedioic acid;hydride;zinc
CID 174761072
butanedioic acid;decanedioic acid;hexanedioic acid;octanedioic acid
CID 157217252
octanedioic acid;zinc
CID 87285694

Frequently Asked Questions

What is the IUPAC name of 10-[bis(sulfanyl)amino]-10-oxodecanoic acid?
The IUPAC name of 10-[bis(sulfanyl)amino]-10-oxodecanoic acid (CID 139658616) is 10-[bis(sulfanyl)amino]-10-oxodecanoic acid.
What is the SMILES notation for 10-[bis(sulfanyl)amino]-10-oxodecanoic acid?
The canonical SMILES for 10-[bis(sulfanyl)amino]-10-oxodecanoic acid is O=C(O)CCCCCCCCC(=O)N(S)S.
What is the InChIKey of 10-[bis(sulfanyl)amino]-10-oxodecanoic acid?
The InChIKey is KUPNUZNXLQQZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S2/c12-9(11(15)16)7-5-3-1-2-4-6-8-10(13)14/h15-16H,1-8H2,(H,13,14).
What are the key properties of 10-[bis(sulfanyl)amino]-10-oxodecanoic acid?
10-[bis(sulfanyl)amino]-10-oxodecanoic acid has a molecular weight of 265.40 g/mol, XLogP of 2.71, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[bis(sulfanyl)amino]-10-oxodecanoic acid is sourced from PubChem (CID 139658616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).