2-[hexyl(2-sulfanylethyl)amino]-N-(2-sulfanylethyl)acetamide

C12H26N2OS2 — CID 100944879

IUPAC2-[hexyl(2-sulfanylethyl)amino]-N-(2-sulfanylethyl)acetamide
SMILESCCCCCCN(CCS)CC(=O)NCCS
InChIInChI=1S/C12H26N2OS2/c1-2-3-4-5-7-14(8-10-17)11-12(15)13-6-9-16/h16-17H,2-11H2,1H3,(H,13,15)
InChIKeyNHPLODDLCZQPJD-UHFFFAOYSA-N
MW278.49 g/mol
LogP1.84
Rot. Bonds11

About 2-[hexyl(2-sulfanylethyl)amino]-N-(2-sulfanylethyl)acetamide

2-[hexyl(2-sulfanylethyl)amino]-N-(2-sulfanylethyl)acetamide (PubChem CID 100944879) has the molecular formula C12H26N2OS2 and a molecular weight of 278.49 g/mol. Its IUPAC name is 2-[hexyl(2-sulfanylethyl)amino]-N-(2-sulfanylethyl)acetamide.

Molecular Properties

Compound Name2-[hexyl(2-sulfanylethyl)amino]-N-(2-sulfanylethyl)acetamide
PubChem CID100944879
Molecular FormulaC12H26N2OS2
Molecular Weight278.49 g/mol
Exact Mass278.15
IUPAC Name2-[hexyl(2-sulfanylethyl)amino]-N-(2-sulfanylethyl)acetamide
SMILESCCCCCCN(CCS)CC(=O)NCCS
InChIInChI=1S/C12H26N2OS2/c1-2-3-4-5-7-14(8-10-17)11-12(15)13-6-9-16/h16-17H,2-11H2,1H3,(H,13,15)
InChIKeyNHPLODDLCZQPJD-UHFFFAOYSA-N
XLogP1.84
TPSA32.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.49
LogP ≤ 51.84
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'}

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Related Compounds

2-[3-(diethylamino)propyl-(2-sulfanylethyl)amino]-N-(2-sulfanylethyl)acetamide
CID 10047882
N-decyl-2-[2-[di(nonyl)amino]ethyl-nonylamino]acetamide
CID 137363672
3-[butyl(2-sulfanylethyl)amino]-N-(2-sulfanylethyl)propanamide
CID 58811044
N-(2-sulfanylethyl)octanamide
CID 521749
N-butyl-2-(dipropylamino)acetamide
CID 54817378
2-[2-oxopropyl(2-sulfanylethyl)amino]-N-propylacetamide
CID 20768518
2-[butyl(6-sulfanylhexyl)amino]-N-methylacetamide
CID 158713217
2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-oxo-2-(tridecylamino)ethyl]amino]ethyl]amino]acetic acid
CID 87241288
2-(dimethylamino)-N-octadecylacetamide;ethane
CID 90860669
2-[butyl(2-hydroxyethyl)amino]-N-(2-hydroxyethyl)acetamide
CID 61446926
2-[2-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethylamino]ethyl-propylamino]-N-dodecylacetamide
CID 138548504
2-[bis[2-[carboxymethyl-[2-oxo-2-(2-sulfanylethylamino)ethyl]amino]ethyl]amino]acetic acid
CID 5289611

Frequently Asked Questions

What is the IUPAC name of 2-[hexyl(2-sulfanylethyl)amino]-N-(2-sulfanylethyl)acetamide?
The IUPAC name of 2-[hexyl(2-sulfanylethyl)amino]-N-(2-sulfanylethyl)acetamide (CID 100944879) is 2-[hexyl(2-sulfanylethyl)amino]-N-(2-sulfanylethyl)acetamide.
What is the SMILES notation for 2-[hexyl(2-sulfanylethyl)amino]-N-(2-sulfanylethyl)acetamide?
The canonical SMILES for 2-[hexyl(2-sulfanylethyl)amino]-N-(2-sulfanylethyl)acetamide is CCCCCCN(CCS)CC(=O)NCCS.
What is the InChIKey of 2-[hexyl(2-sulfanylethyl)amino]-N-(2-sulfanylethyl)acetamide?
The InChIKey is NHPLODDLCZQPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2OS2/c1-2-3-4-5-7-14(8-10-17)11-12(15)13-6-9-16/h16-17H,2-11H2,1H3,(H,13,15).
What are the key properties of 2-[hexyl(2-sulfanylethyl)amino]-N-(2-sulfanylethyl)acetamide?
2-[hexyl(2-sulfanylethyl)amino]-N-(2-sulfanylethyl)acetamide has a molecular weight of 278.49 g/mol, XLogP of 1.84, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hexyl(2-sulfanylethyl)amino]-N-(2-sulfanylethyl)acetamide is sourced from PubChem (CID 100944879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).