N-(2-amino-2-oxoethyl)-3-(2-amino-2-oxoethyl)sulfanyl-2-[2-(diaminomethylidene)hydrazinyl]propanamide

C8H17N7O3S — CID 146243540

IUPACN-(2-amino-2-oxoethyl)-3-(2-amino-2-oxoethyl)sulfanyl-2-[2-(diaminomethylidene)hydrazinyl]propanamide
SMILESNC(=O)CNC(=O)C(CSCC(N)=O)NN=C(N)N
InChIInChI=1S/C8H17N7O3S/c9-5(16)1-13-7(18)4(14-15-8(11)12)2-19-3-6(10)17/h4,14H,1-3H2,(H2,9,16)(H2,10,17)(H,13,18)(H4,11,12,15)
InChIKeyJPHZNSWBGUIEIZ-UHFFFAOYSA-N
MW291.34 g/mol
LogP-4.05
Rot. Bonds9

About N-(2-amino-2-oxoethyl)-3-(2-amino-2-oxoethyl)sulfanyl-2-[2-(diaminomethylidene)hydrazinyl]propanamide

N-(2-amino-2-oxoethyl)-3-(2-amino-2-oxoethyl)sulfanyl-2-[2-(diaminomethylidene)hydrazinyl]propanamide (PubChem CID 146243540) has the molecular formula C8H17N7O3S and a molecular weight of 291.34 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-3-(2-amino-2-oxoethyl)sulfanyl-2-[2-(diaminomethylidene)hydrazinyl]propanamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-3-(2-amino-2-oxoethyl)sulfanyl-2-[2-(diaminomethylidene)hydrazinyl]propanamide
PubChem CID146243540
Molecular FormulaC8H17N7O3S
Molecular Weight291.34 g/mol
Exact Mass291.11
IUPAC NameN-(2-amino-2-oxoethyl)-3-(2-amino-2-oxoethyl)sulfanyl-2-[2-(diaminomethylidene)hydrazinyl]propanamide
SMILESNC(=O)CNC(=O)C(CSCC(N)=O)NN=C(N)N
InChIInChI=1S/C8H17N7O3S/c9-5(16)1-13-7(18)4(14-15-8(11)12)2-19-3-6(10)17/h4,14H,1-3H2,(H2,9,16)(H2,10,17)(H,13,18)(H4,11,12,15)
InChIKeyJPHZNSWBGUIEIZ-UHFFFAOYSA-N
XLogP-4.05
TPSA191.71 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.34
LogP ≤ 5-4.05
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-[2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-2-(methylamino)-3-(2-methylprop-2-enylsulfanyl)propanamide
CID 165068951
3-(2-amino-2-oxoethyl)sulfanyl-N-methyl-2-(methylamino)propanamide
CID 165386764
(2S)-N-(2-amino-2-oxoethyl)-5-(diaminomethylideneamino)-2-methylpentanamide
CID 147410146
4-amino-N-(2-amino-2-oxoethyl)-2-methylbutanamide
CID 80541244
2-[2-[3-[(2-amino-2-oxoethyl)amino]-2-methyl-3-oxopropyl]sulfanylethylcarbamoylamino]ethyl 2-methylbutanoate
CID 59718267
2-[[2-[[2-(2-methylpropylsulfanyl)acetyl]amino]acetyl]amino]acetamide
CID 168915407
2-[2-[3-[(2-amino-2-oxoethyl)amino]-2-methyl-3-oxopropyl]sulfanylethoxymethoxy]ethyl 2-methylbutanoate
CID 59718250
2-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 115573216
N-(2-amino-2-oxoethyl)-2,6-bis(methylamino)hexanamide
CID 58661389
5-(1-aminoethylideneamino)-N-(2-amino-2-oxoethyl)-2-methylpentanamide
CID 155415637
(2S)-N-(2-amino-2-oxoethyl)-2-formamido-4-methylpentanamide
CID 163530285
2-acetamido-N-(2-amino-2-oxoethyl)-3-phenylsulfanylpropanamide
CID 3507382

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-3-(2-amino-2-oxoethyl)sulfanyl-2-[2-(diaminomethylidene)hydrazinyl]propanamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-3-(2-amino-2-oxoethyl)sulfanyl-2-[2-(diaminomethylidene)hydrazinyl]propanamide (CID 146243540) is N-(2-amino-2-oxoethyl)-3-(2-amino-2-oxoethyl)sulfanyl-2-[2-(diaminomethylidene)hydrazinyl]propanamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-3-(2-amino-2-oxoethyl)sulfanyl-2-[2-(diaminomethylidene)hydrazinyl]propanamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-3-(2-amino-2-oxoethyl)sulfanyl-2-[2-(diaminomethylidene)hydrazinyl]propanamide is NC(=O)CNC(=O)C(CSCC(N)=O)NN=C(N)N.
What is the InChIKey of N-(2-amino-2-oxoethyl)-3-(2-amino-2-oxoethyl)sulfanyl-2-[2-(diaminomethylidene)hydrazinyl]propanamide?
The InChIKey is JPHZNSWBGUIEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N7O3S/c9-5(16)1-13-7(18)4(14-15-8(11)12)2-19-3-6(10)17/h4,14H,1-3H2,(H2,9,16)(H2,10,17)(H,13,18)(H4,11,12,15).
What are the key properties of N-(2-amino-2-oxoethyl)-3-(2-amino-2-oxoethyl)sulfanyl-2-[2-(diaminomethylidene)hydrazinyl]propanamide?
N-(2-amino-2-oxoethyl)-3-(2-amino-2-oxoethyl)sulfanyl-2-[2-(diaminomethylidene)hydrazinyl]propanamide has a molecular weight of 291.34 g/mol, XLogP of -4.05, 9 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-3-(2-amino-2-oxoethyl)sulfanyl-2-[2-(diaminomethylidene)hydrazinyl]propanamide is sourced from PubChem (CID 146243540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).