5-(diaminomethylideneamino)-2-hydroxy-N-sulfanylpentanamide

C6H14N4O2S — CID 91357569

IUPAC5-(diaminomethylideneamino)-2-hydroxy-N-sulfanylpentanamide
SMILESNC(N)=NCCCC(O)C(=O)NS
InChIInChI=1S/C6H14N4O2S/c7-6(8)9-3-1-2-4(11)5(12)10-13/h4,11,13H,1-3H2,(H,10,12)(H4,7,8,9)
InChIKeyHAWNFZWWWSAMOB-UHFFFAOYSA-N
MW206.27 g/mol
LogP-1.64
Rot. Bonds5

About 5-(diaminomethylideneamino)-2-hydroxy-N-sulfanylpentanamide

5-(diaminomethylideneamino)-2-hydroxy-N-sulfanylpentanamide (PubChem CID 91357569) has the molecular formula C6H14N4O2S and a molecular weight of 206.27 g/mol. Its IUPAC name is 5-(diaminomethylideneamino)-2-hydroxy-N-sulfanylpentanamide.

Molecular Properties

Compound Name5-(diaminomethylideneamino)-2-hydroxy-N-sulfanylpentanamide
PubChem CID91357569
Molecular FormulaC6H14N4O2S
Molecular Weight206.27 g/mol
Exact Mass206.08
IUPAC Name5-(diaminomethylideneamino)-2-hydroxy-N-sulfanylpentanamide
SMILESNC(N)=NCCCC(O)C(=O)NS
InChIInChI=1S/C6H14N4O2S/c7-6(8)9-3-1-2-4(11)5(12)10-13/h4,11,13H,1-3H2,(H,10,12)(H4,7,8,9)
InChIKeyHAWNFZWWWSAMOB-UHFFFAOYSA-N
XLogP-1.64
TPSA113.73 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 5-1.64
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

sodium (2S)-5-(diaminomethylideneamino)-2-(sulfanylamino)pentanoate
CID 175880055
[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]urea
CID 54323460
5-(diaminomethylideneamino)-2-(methylamino)pentanamide
CID 58899050
2-[4-(methylaminomethyl)-5-oxohexyl]guanidine
CID 89062827
2-[(4R)-4-(methylamino)-5-oxohexyl]guanidine
CID 59966003
(2R)-5-(diaminomethylideneamino)-2-(methylamino)pentanoic acid
CID 161367274
benzyl (2R)-2-[[(2R)-5-(diaminomethylideneamino)-2-hydroxypentanoyl]amino]-3-phenylpropanoate
CID 10573727
(2S)-N-(2-amino-2-oxoethyl)-5-(diaminomethylideneamino)-2-methylpentanamide
CID 147410146
N-(3-aminopropyl)-5-(diaminomethylideneamino)-2-iodopentanamide
CID 146429799
2-amino-5-(diaminomethylideneamino)pentanoic acid;1-sulfanylethanol;hydrate
CID 175147210
2-[[2-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoic acid
CID 22650826
ethane;2-[4-(methylamino)-5-oxohexyl]guanidine
CID 145328889

Frequently Asked Questions

What is the IUPAC name of 5-(diaminomethylideneamino)-2-hydroxy-N-sulfanylpentanamide?
The IUPAC name of 5-(diaminomethylideneamino)-2-hydroxy-N-sulfanylpentanamide (CID 91357569) is 5-(diaminomethylideneamino)-2-hydroxy-N-sulfanylpentanamide.
What is the SMILES notation for 5-(diaminomethylideneamino)-2-hydroxy-N-sulfanylpentanamide?
The canonical SMILES for 5-(diaminomethylideneamino)-2-hydroxy-N-sulfanylpentanamide is NC(N)=NCCCC(O)C(=O)NS.
What is the InChIKey of 5-(diaminomethylideneamino)-2-hydroxy-N-sulfanylpentanamide?
The InChIKey is HAWNFZWWWSAMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4O2S/c7-6(8)9-3-1-2-4(11)5(12)10-13/h4,11,13H,1-3H2,(H,10,12)(H4,7,8,9).
What are the key properties of 5-(diaminomethylideneamino)-2-hydroxy-N-sulfanylpentanamide?
5-(diaminomethylideneamino)-2-hydroxy-N-sulfanylpentanamide has a molecular weight of 206.27 g/mol, XLogP of -1.64, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diaminomethylideneamino)-2-hydroxy-N-sulfanylpentanamide is sourced from PubChem (CID 91357569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).