2-sulfanyl-N-[1-[(2-sulfanylacetyl)amino]hexyl]acetamide

C10H20N2O2S2 — CID 141139976

IUPAC2-sulfanyl-N-[1-[(2-sulfanylacetyl)amino]hexyl]acetamide
SMILESCCCCCC(NC(=O)CS)NC(=O)CS
InChIInChI=1S/C10H20N2O2S2/c1-2-3-4-5-8(11-9(13)6-15)12-10(14)7-16/h8,15-16H,2-7H2,1H3,(H,11,13)(H,12,14)
InChIKeyPMVINOSBPFESTJ-UHFFFAOYSA-N
MW264.42 g/mol
LogP0.98
Rot. Bonds8

About 2-sulfanyl-N-[1-[(2-sulfanylacetyl)amino]hexyl]acetamide

2-sulfanyl-N-[1-[(2-sulfanylacetyl)amino]hexyl]acetamide (PubChem CID 141139976) has the molecular formula C10H20N2O2S2 and a molecular weight of 264.42 g/mol. Its IUPAC name is 2-sulfanyl-N-[1-[(2-sulfanylacetyl)amino]hexyl]acetamide.

Molecular Properties

Compound Name2-sulfanyl-N-[1-[(2-sulfanylacetyl)amino]hexyl]acetamide
PubChem CID141139976
Molecular FormulaC10H20N2O2S2
Molecular Weight264.42 g/mol
Exact Mass264.10
IUPAC Name2-sulfanyl-N-[1-[(2-sulfanylacetyl)amino]hexyl]acetamide
SMILESCCCCCC(NC(=O)CS)NC(=O)CS
InChIInChI=1S/C10H20N2O2S2/c1-2-3-4-5-8(11-9(13)6-15)12-10(14)7-16/h8,15-16H,2-7H2,1H3,(H,11,13)(H,12,14)
InChIKeyPMVINOSBPFESTJ-UHFFFAOYSA-N
XLogP0.98
TPSA58.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 50.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

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CID 91212304
8-amino-N-[1-(8-aminooctanoylamino)octyl]octanamide
CID 18787747
N-[4-amino-1-(octadecanoylamino)butyl]octadecanamide
CID 141044961
methyl 2-sulfanylundecanoate
CID 90343263
(6R,7R)-dodecane-6,7-dithiol
CID 97050337
tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]decyl]carbamate
CID 151817419
3-sulfanylhenicosanoic acid
CID 57128835
N-dodecan-2-ylpropanamide
CID 174988669
2-phenyl-N-[1-[(2-phenylacetyl)amino]pentyl]acetamide
CID 71451972
2-sulfanylheptanoate
CID 22594709
N-[1-(octanoylamino)propyl]octanamide
CID 175099053
docosane-10,11-dithiol
CID 123269259

Frequently Asked Questions

What is the IUPAC name of 2-sulfanyl-N-[1-[(2-sulfanylacetyl)amino]hexyl]acetamide?
The IUPAC name of 2-sulfanyl-N-[1-[(2-sulfanylacetyl)amino]hexyl]acetamide (CID 141139976) is 2-sulfanyl-N-[1-[(2-sulfanylacetyl)amino]hexyl]acetamide.
What is the SMILES notation for 2-sulfanyl-N-[1-[(2-sulfanylacetyl)amino]hexyl]acetamide?
The canonical SMILES for 2-sulfanyl-N-[1-[(2-sulfanylacetyl)amino]hexyl]acetamide is CCCCCC(NC(=O)CS)NC(=O)CS.
What is the InChIKey of 2-sulfanyl-N-[1-[(2-sulfanylacetyl)amino]hexyl]acetamide?
The InChIKey is PMVINOSBPFESTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S2/c1-2-3-4-5-8(11-9(13)6-15)12-10(14)7-16/h8,15-16H,2-7H2,1H3,(H,11,13)(H,12,14).
What are the key properties of 2-sulfanyl-N-[1-[(2-sulfanylacetyl)amino]hexyl]acetamide?
2-sulfanyl-N-[1-[(2-sulfanylacetyl)amino]hexyl]acetamide has a molecular weight of 264.42 g/mol, XLogP of 0.98, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanyl-N-[1-[(2-sulfanylacetyl)amino]hexyl]acetamide is sourced from PubChem (CID 141139976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).