N-(6-aminohexyl)-2-(disulfanyl)acetamide

C8H18N2OS2 — CID 129106459

IUPACN-(6-aminohexyl)-2-(disulfanyl)acetamide
SMILESNCCCCCCNC(=O)CSS
InChIInChI=1S/C8H18N2OS2/c9-5-3-1-2-4-6-10-8(11)7-13-12/h12H,1-7,9H2,(H,10,11)
InChIKeyFDYCBZVOGBBMLT-UHFFFAOYSA-N
MW222.38 g/mol
LogP1.20
Rot. Bonds8

About N-(6-aminohexyl)-2-(disulfanyl)acetamide

N-(6-aminohexyl)-2-(disulfanyl)acetamide (PubChem CID 129106459) has the molecular formula C8H18N2OS2 and a molecular weight of 222.38 g/mol. Its IUPAC name is N-(6-aminohexyl)-2-(disulfanyl)acetamide.

Molecular Properties

Compound NameN-(6-aminohexyl)-2-(disulfanyl)acetamide
PubChem CID129106459
Molecular FormulaC8H18N2OS2
Molecular Weight222.38 g/mol
Exact Mass222.09
IUPAC NameN-(6-aminohexyl)-2-(disulfanyl)acetamide
SMILESNCCCCCCNC(=O)CSS
InChIInChI=1S/C8H18N2OS2/c9-5-3-1-2-4-6-10-8(11)7-13-12/h12H,1-7,9H2,(H,10,11)
InChIKeyFDYCBZVOGBBMLT-UHFFFAOYSA-N
XLogP1.20
TPSA55.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

S-[2-(6-aminohexylamino)-2-oxoethyl] ethanethioate
CID 86603506
6-amino-N-(7-aminoheptyl)hexanamide
CID 56980494
N-(6-aminohexyl)-2-chloroacetamide
CID 14484874
N,N'-bis(12-aminododecyl)octanediamide
CID 58602052
N,N'-bis(7-aminoheptyl)pentanediamide
CID 86136288
13-amino-N-(6-aminohexyl)-6-oxotridecanamide
CID 157314658
CID 89207186
CID 89207186
N-(6-aminohexyl)-2-iodoacetamide
CID 129106348
6-amino-N-(4-sulfanylbutyl)hexanamide
CID 162689311
4-(8-aminooctylamino)-4-oxobutanoic acid
CID 118437583
6-amino-N-(5-amino-5-oxopentyl)hexanamide
CID 106235898
N-(5-aminopentyl)-2-(2,5-dioxopyrrol-1-yl)acetamide
CID 169116730

Frequently Asked Questions

What is the IUPAC name of N-(6-aminohexyl)-2-(disulfanyl)acetamide?
The IUPAC name of N-(6-aminohexyl)-2-(disulfanyl)acetamide (CID 129106459) is N-(6-aminohexyl)-2-(disulfanyl)acetamide.
What is the SMILES notation for N-(6-aminohexyl)-2-(disulfanyl)acetamide?
The canonical SMILES for N-(6-aminohexyl)-2-(disulfanyl)acetamide is NCCCCCCNC(=O)CSS.
What is the InChIKey of N-(6-aminohexyl)-2-(disulfanyl)acetamide?
The InChIKey is FDYCBZVOGBBMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2OS2/c9-5-3-1-2-4-6-10-8(11)7-13-12/h12H,1-7,9H2,(H,10,11).
What are the key properties of N-(6-aminohexyl)-2-(disulfanyl)acetamide?
N-(6-aminohexyl)-2-(disulfanyl)acetamide has a molecular weight of 222.38 g/mol, XLogP of 1.20, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-aminohexyl)-2-(disulfanyl)acetamide is sourced from PubChem (CID 129106459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).