(2S)-5-(diaminomethylideneamino)-2-(sulfamoylamino)pentanoic acid

C6H15N5O4S — CID 71660635

IUPAC(2S)-5-(diaminomethylideneamino)-2-(sulfamoylamino)pentanoic acid
SMILESNC(N)=NCCC[C@H](NS(N)(=O)=O)C(=O)O
InChIInChI=1S/C6H15N5O4S/c7-6(8)10-3-1-2-4(5(12)13)11-16(9,14)15/h4,11H,1-3H2,(H,12,13)(H4,7,8,10)(H2,9,14,15)/t4-/m0/s1
InChIKeyPBEOTCYEZLQJNW-BYPYZUCNSA-N
MW253.28 g/mol
LogP-2.71
Rot. Bonds7

About (2S)-5-(diaminomethylideneamino)-2-(sulfamoylamino)pentanoic acid

(2S)-5-(diaminomethylideneamino)-2-(sulfamoylamino)pentanoic acid (PubChem CID 71660635) has the molecular formula C6H15N5O4S and a molecular weight of 253.28 g/mol. Its IUPAC name is (2S)-5-(diaminomethylideneamino)-2-(sulfamoylamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-5-(diaminomethylideneamino)-2-(sulfamoylamino)pentanoic acid
PubChem CID71660635
Molecular FormulaC6H15N5O4S
Molecular Weight253.28 g/mol
Exact Mass253.08
IUPAC Name(2S)-5-(diaminomethylideneamino)-2-(sulfamoylamino)pentanoic acid
SMILESNC(N)=NCCC[C@H](NS(N)(=O)=O)C(=O)O
InChIInChI=1S/C6H15N5O4S/c7-6(8)10-3-1-2-4(5(12)13)11-16(9,14)15/h4,11H,1-3H2,(H,12,13)(H4,7,8,10)(H2,9,14,15)/t4-/m0/s1
InChIKeyPBEOTCYEZLQJNW-BYPYZUCNSA-N
XLogP-2.71
TPSA173.89 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 5-2.71
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'}

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Related Compounds

(2R)-5-(diaminomethylideneamino)-2-(methylamino)pentanoic acid
CID 161367274
(2S)-2-[2-[amino(azanyl)methylidene]hydrazinyl]-5-(diaminomethylideneamino)pentanoic acid
CID 54407523
5-(diaminomethylideneamino)-2-(methylamino)pentanoic acid;hydrochloride
CID 23193375
(2S)-5-(diaminomethylideneamino)-2-(propan-2-ylamino)pentanoic acid
CID 59709383
5-(diaminomethylideneamino)-2-(fluoromethylamino)pentanoic acid
CID 88629347
(2S)-2-[[amino(carboxy)methyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 173073203
5-(diaminomethylideneamino)-2-(methylamino)pentanamide
CID 58899050
(2S)-5-(diaminomethylideneamino)-2-(oxaldehydoylamino)pentanoic acid
CID 173147392
(2R)-5-(diaminomethylideneamino)-2-nitramidopentanoic acid
CID 44593755
(2R)-5-(diaminomethylideneamino)-2-[[(2S)-1,1-dihydroxypropan-2-yl]amino]pentanoic acid
CID 57329063
(2S)-2-[2-[(1S)-1-carboxy-4-(diaminomethylideneamino)butyl]hydrazinyl]-4-methylpentanoic acid
CID 174652219
(2S)-2-[[3-[[(1R)-1-carboxy-4-(diaminomethylideneamino)butyl]amino]-3-oxopropanoyl]amino]butanedioic acid
CID 10407104

Frequently Asked Questions

What is the IUPAC name of (2S)-5-(diaminomethylideneamino)-2-(sulfamoylamino)pentanoic acid?
The IUPAC name of (2S)-5-(diaminomethylideneamino)-2-(sulfamoylamino)pentanoic acid (CID 71660635) is (2S)-5-(diaminomethylideneamino)-2-(sulfamoylamino)pentanoic acid.
What is the SMILES notation for (2S)-5-(diaminomethylideneamino)-2-(sulfamoylamino)pentanoic acid?
The canonical SMILES for (2S)-5-(diaminomethylideneamino)-2-(sulfamoylamino)pentanoic acid is NC(N)=NCCC[C@H](NS(N)(=O)=O)C(=O)O.
What is the InChIKey of (2S)-5-(diaminomethylideneamino)-2-(sulfamoylamino)pentanoic acid?
The InChIKey is PBEOTCYEZLQJNW-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H15N5O4S/c7-6(8)10-3-1-2-4(5(12)13)11-16(9,14)15/h4,11H,1-3H2,(H,12,13)(H4,7,8,10)(H2,9,14,15)/t4-/m0/s1.
What are the key properties of (2S)-5-(diaminomethylideneamino)-2-(sulfamoylamino)pentanoic acid?
(2S)-5-(diaminomethylideneamino)-2-(sulfamoylamino)pentanoic acid has a molecular weight of 253.28 g/mol, XLogP of -2.71, 7 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-(diaminomethylideneamino)-2-(sulfamoylamino)pentanoic acid is sourced from PubChem (CID 71660635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).