(2S)-2-(benzenesulfonamido)-5-(diaminomethylideneamino)pentanamide

C12H19N5O3S — CID 40548649

IUPAC(2S)-2-(benzenesulfonamido)-5-(diaminomethylideneamino)pentanamide
SMILESNC(=O)[C@H](CCCN=C(N)N)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H19N5O3S/c13-11(18)10(7-4-8-16-12(14)15)17-21(19,20)9-5-2-1-3-6-9/h1-3,5-6,10,17H,4,7-8H2,(H2,13,18)(H4,14,15,16)/t10-/m0/s1
InChIKeyRDMCUKXYLHILOK-JTQLQIEISA-N
MW313.38 g/mol
LogP-1.13
Rot. Bonds8

About (2S)-2-(benzenesulfonamido)-5-(diaminomethylideneamino)pentanamide

(2S)-2-(benzenesulfonamido)-5-(diaminomethylideneamino)pentanamide (PubChem CID 40548649) has the molecular formula C12H19N5O3S and a molecular weight of 313.38 g/mol. Its IUPAC name is (2S)-2-(benzenesulfonamido)-5-(diaminomethylideneamino)pentanamide.

Molecular Properties

Compound Name(2S)-2-(benzenesulfonamido)-5-(diaminomethylideneamino)pentanamide
PubChem CID40548649
Molecular FormulaC12H19N5O3S
Molecular Weight313.38 g/mol
Exact Mass313.12
IUPAC Name(2S)-2-(benzenesulfonamido)-5-(diaminomethylideneamino)pentanamide
SMILESNC(=O)[C@H](CCCN=C(N)N)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H19N5O3S/c13-11(18)10(7-4-8-16-12(14)15)17-21(19,20)9-5-2-1-3-6-9/h1-3,5-6,10,17H,4,7-8H2,(H2,13,18)(H4,14,15,16)/t10-/m0/s1
InChIKeyRDMCUKXYLHILOK-JTQLQIEISA-N
XLogP-1.13
TPSA153.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 5-1.13
H-Bond Donors ≤ 54
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'}

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Related Compounds

amino (2R)-5-(diaminomethylideneamino)-2-[(4-phenoxyphenyl)sulfonylamino]pentanoate
CID 67562975
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-(diaminomethylideneamino)-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 142225285
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-[(4-chlorophenyl)sulfonylamino]-5-(diaminomethylideneamino)pentanamide
CID 142225262
(2R)-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-(diaminomethylideneamino)-2-[(4-fluorophenyl)sulfonylamino]pentanamide
CID 10277363
2-(benzenesulfonamido)pentanediamide
CID 71384470
(2R)-2-(benzenesulfonamido)-3-[8-(diaminomethylideneamino)octylamino]propanoic acid
CID 10136480
5-(diaminomethylideneamino)-2-(methylamino)pentanamide
CID 58899050
2-[4-[4-[2-(benzenesulfonamido)-3-oxobutyl]phenoxy]butyl]guanidine
CID 20620092
(2S)-2-(benzenesulfonamido)-3-[3-[4-(diaminomethylideneamino)butanoylamino]propanoylamino]propanoic acid
CID 10203754
2-(benzenesulfonamido)-3-[3-[4-(diaminomethylideneamino)butanoylamino]propanoylamino]propanoic acid
CID 20579617
N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]benzamide;hydrate;hydrochloride
CID 2724353
5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)amino]pentanamide
CID 18357243

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(benzenesulfonamido)-5-(diaminomethylideneamino)pentanamide?
The IUPAC name of (2S)-2-(benzenesulfonamido)-5-(diaminomethylideneamino)pentanamide (CID 40548649) is (2S)-2-(benzenesulfonamido)-5-(diaminomethylideneamino)pentanamide.
What is the SMILES notation for (2S)-2-(benzenesulfonamido)-5-(diaminomethylideneamino)pentanamide?
The canonical SMILES for (2S)-2-(benzenesulfonamido)-5-(diaminomethylideneamino)pentanamide is NC(=O)[C@H](CCCN=C(N)N)NS(=O)(=O)c1ccccc1.
What is the InChIKey of (2S)-2-(benzenesulfonamido)-5-(diaminomethylideneamino)pentanamide?
The InChIKey is RDMCUKXYLHILOK-JTQLQIEISA-N. The full InChI is InChI=1S/C12H19N5O3S/c13-11(18)10(7-4-8-16-12(14)15)17-21(19,20)9-5-2-1-3-6-9/h1-3,5-6,10,17H,4,7-8H2,(H2,13,18)(H4,14,15,16)/t10-/m0/s1.
What are the key properties of (2S)-2-(benzenesulfonamido)-5-(diaminomethylideneamino)pentanamide?
(2S)-2-(benzenesulfonamido)-5-(diaminomethylideneamino)pentanamide has a molecular weight of 313.38 g/mol, XLogP of -1.13, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(benzenesulfonamido)-5-(diaminomethylideneamino)pentanamide is sourced from PubChem (CID 40548649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).