2,5-bis(3-aminopropylamino)-N-(2-ethylsulfanylethyl)pentanamide

C15H35N5OS — CID 88877319

IUPAC2,5-bis(3-aminopropylamino)-N-(2-ethylsulfanylethyl)pentanamide
SMILESCCSCCNC(=O)C(CCCNCCCN)NCCCN
InChIInChI=1S/C15H35N5OS/c1-2-22-13-12-20-15(21)14(19-11-5-8-17)6-3-9-18-10-4-7-16/h14,18-19H,2-13,16-17H2,1H3,(H,20,21)
InChIKeyUAMTYZQATDCZSJ-UHFFFAOYSA-N
MW333.55 g/mol
LogP-0.12
Rot. Bonds16

About 2,5-bis(3-aminopropylamino)-N-(2-ethylsulfanylethyl)pentanamide

2,5-bis(3-aminopropylamino)-N-(2-ethylsulfanylethyl)pentanamide (PubChem CID 88877319) has the molecular formula C15H35N5OS and a molecular weight of 333.55 g/mol. Its IUPAC name is 2,5-bis(3-aminopropylamino)-N-(2-ethylsulfanylethyl)pentanamide.

Molecular Properties

Compound Name2,5-bis(3-aminopropylamino)-N-(2-ethylsulfanylethyl)pentanamide
PubChem CID88877319
Molecular FormulaC15H35N5OS
Molecular Weight333.55 g/mol
Exact Mass333.26
IUPAC Name2,5-bis(3-aminopropylamino)-N-(2-ethylsulfanylethyl)pentanamide
SMILESCCSCCNC(=O)C(CCCNCCCN)NCCCN
InChIInChI=1S/C15H35N5OS/c1-2-22-13-12-20-15(21)14(19-11-5-8-17)6-3-9-18-10-4-7-16/h14,18-19H,2-13,16-17H2,1H3,(H,20,21)
InChIKeyUAMTYZQATDCZSJ-UHFFFAOYSA-N
XLogP-0.12
TPSA105.20 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.55
LogP ≤ 5-0.12
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-amino-2-oxoethyl)sulfanylethyl]-2,5-bis(3-aminopropylamino)pentanamide
CID 88877300
1,4,9,12-tetrakis(3-aminopropylamino)dodecane-5,8-dione
CID 169489086
N'-(2-ethylsulfanylethyl)ethane-1,2-diamine;dihydrochloride
CID 45261849
5-(3-aminopropylamino)-N-[3-[2-[3-[2,5-bis(3-aminopropylamino)pentanoylamino]propyl-[(Z)-octadec-9-enyl]amino]ethyl-[(Z)-octadec-9-enyl]amino]propyl]-2-(butylamino)pentanamide
CID 90939214
3-amino-2-(deuterioamino)-N-ethylpropanamide;2-(3-aminopropylamino)-4-(butylamino)-N-ethylbutanamide
CID 159694374
3-aminopropyl N-[4-(3-aminopropylamino)-5-oxo-5-(tetradecylamino)pentyl]carbamate
CID 89258604
N-[3-[3-(3-aminopropylamino)propylamino]propyl]-2-methylpropanamide
CID 154594320
N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-methylpropanamide
CID 154982765
3-aminopropyl-[4-(3-aminopropylamino)-5-oxo-5-(tetradecylamino)pentyl]carbamic acid
CID 89258603
N-(3-aminopropyl)-2-(hydroxyamino)heptanamide
CID 142081006
2,6-diamino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]hexanamide
CID 23400695
2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(butylamino)hexanamide
CID 23400711

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(3-aminopropylamino)-N-(2-ethylsulfanylethyl)pentanamide?
The IUPAC name of 2,5-bis(3-aminopropylamino)-N-(2-ethylsulfanylethyl)pentanamide (CID 88877319) is 2,5-bis(3-aminopropylamino)-N-(2-ethylsulfanylethyl)pentanamide.
What is the SMILES notation for 2,5-bis(3-aminopropylamino)-N-(2-ethylsulfanylethyl)pentanamide?
The canonical SMILES for 2,5-bis(3-aminopropylamino)-N-(2-ethylsulfanylethyl)pentanamide is CCSCCNC(=O)C(CCCNCCCN)NCCCN.
What is the InChIKey of 2,5-bis(3-aminopropylamino)-N-(2-ethylsulfanylethyl)pentanamide?
The InChIKey is UAMTYZQATDCZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H35N5OS/c1-2-22-13-12-20-15(21)14(19-11-5-8-17)6-3-9-18-10-4-7-16/h14,18-19H,2-13,16-17H2,1H3,(H,20,21).
What are the key properties of 2,5-bis(3-aminopropylamino)-N-(2-ethylsulfanylethyl)pentanamide?
2,5-bis(3-aminopropylamino)-N-(2-ethylsulfanylethyl)pentanamide has a molecular weight of 333.55 g/mol, XLogP of -0.12, 16 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(3-aminopropylamino)-N-(2-ethylsulfanylethyl)pentanamide is sourced from PubChem (CID 88877319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).