N-(5-aminopentyl)-N'-(3-sulfanylbutyl)butanediamide

C13H27N3O2S — CID 155107995

IUPACN-(5-aminopentyl)-N'-(3-sulfanylbutyl)butanediamide
SMILESCC(S)CCNC(=O)CCC(=O)NCCCCCN
InChIInChI=1S/C13H27N3O2S/c1-11(19)7-10-16-13(18)6-5-12(17)15-9-4-2-3-8-14/h11,19H,2-10,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyJPXXQELLCXFQPI-UHFFFAOYSA-N
MW289.44 g/mol
LogP0.84
Rot. Bonds11

About N-(5-aminopentyl)-N'-(3-sulfanylbutyl)butanediamide

N-(5-aminopentyl)-N'-(3-sulfanylbutyl)butanediamide (PubChem CID 155107995) has the molecular formula C13H27N3O2S and a molecular weight of 289.44 g/mol. Its IUPAC name is N-(5-aminopentyl)-N'-(3-sulfanylbutyl)butanediamide.

Molecular Properties

Compound NameN-(5-aminopentyl)-N'-(3-sulfanylbutyl)butanediamide
PubChem CID155107995
Molecular FormulaC13H27N3O2S
Molecular Weight289.44 g/mol
Exact Mass289.18
IUPAC NameN-(5-aminopentyl)-N'-(3-sulfanylbutyl)butanediamide
SMILESCC(S)CCNC(=O)CCC(=O)NCCCCCN
InChIInChI=1S/C13H27N3O2S/c1-11(19)7-10-16-13(18)6-5-12(17)15-9-4-2-3-8-14/h11,19H,2-10,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyJPXXQELLCXFQPI-UHFFFAOYSA-N
XLogP0.84
TPSA84.22 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 50.84
H-Bond Donors ≤ 54
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

6-amino-N-(7-aminoheptyl)hexanamide
CID 56980494
N,N'-bis(12-aminododecyl)octanediamide
CID 58602052
N-(4-aminobutyl)-4-hydroxypentanamide
CID 79203295
13-amino-N-(6-aminohexyl)-6-oxotridecanamide
CID 157314658
6-amino-N-[6-oxo-6-(propan-2-ylamino)hexyl]hexanamide
CID 102236503
N'-(6-aminohexyl)-N-methylbutanediamide
CID 155220266
N,N'-bis(7-aminoheptyl)pentanediamide
CID 86136288
N-(6-aminohexyl)dodecanamide
CID 13030555
5-amino-N-(11-oxododecyl)pentanamide
CID 171093439
5-amino-N-[5-(propanoylamino)pentyl]pentanamide
CID 170966361
6-amino-N-(4-sulfanylbutyl)hexanamide
CID 162689311
N-(4-aminobutyl)tetracosanamide
CID 171117181

Frequently Asked Questions

What is the IUPAC name of N-(5-aminopentyl)-N'-(3-sulfanylbutyl)butanediamide?
The IUPAC name of N-(5-aminopentyl)-N'-(3-sulfanylbutyl)butanediamide (CID 155107995) is N-(5-aminopentyl)-N'-(3-sulfanylbutyl)butanediamide.
What is the SMILES notation for N-(5-aminopentyl)-N'-(3-sulfanylbutyl)butanediamide?
The canonical SMILES for N-(5-aminopentyl)-N'-(3-sulfanylbutyl)butanediamide is CC(S)CCNC(=O)CCC(=O)NCCCCCN.
What is the InChIKey of N-(5-aminopentyl)-N'-(3-sulfanylbutyl)butanediamide?
The InChIKey is JPXXQELLCXFQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2S/c1-11(19)7-10-16-13(18)6-5-12(17)15-9-4-2-3-8-14/h11,19H,2-10,14H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-(5-aminopentyl)-N'-(3-sulfanylbutyl)butanediamide?
N-(5-aminopentyl)-N'-(3-sulfanylbutyl)butanediamide has a molecular weight of 289.44 g/mol, XLogP of 0.84, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-aminopentyl)-N'-(3-sulfanylbutyl)butanediamide is sourced from PubChem (CID 155107995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).