(2S)-2,6-diamino-N-(benzenesulfonyl)hexanamide

C12H19N3O3S — CID 67920805

IUPAC(2S)-2,6-diamino-N-(benzenesulfonyl)hexanamide
SMILESNCCCC[C@H](N)C(=O)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H19N3O3S/c13-9-5-4-8-11(14)12(16)15-19(17,18)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9,13-14H2,(H,15,16)/t11-/m0/s1
InChIKeyFOGZWOCKJNZOFM-NSHDSACASA-N
MW285.37 g/mol
LogP-0.05
Rot. Bonds7

About (2S)-2,6-diamino-N-(benzenesulfonyl)hexanamide

(2S)-2,6-diamino-N-(benzenesulfonyl)hexanamide (PubChem CID 67920805) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is (2S)-2,6-diamino-N-(benzenesulfonyl)hexanamide.

Molecular Properties

Compound Name(2S)-2,6-diamino-N-(benzenesulfonyl)hexanamide
PubChem CID67920805
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name(2S)-2,6-diamino-N-(benzenesulfonyl)hexanamide
SMILESNCCCC[C@H](N)C(=O)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H19N3O3S/c13-9-5-4-8-11(14)12(16)15-19(17,18)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9,13-14H2,(H,15,16)/t11-/m0/s1
InChIKeyFOGZWOCKJNZOFM-NSHDSACASA-N
XLogP-0.05
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,6-diamino-N-(benzenesulfonylmethyl)hexanamide
CID 18957410
4-amino-5-[[4-(2-aminoethyl)phenyl]sulfonylamino]-5-oxopentanoic acid
CID 110839428
(2S)-2,6-diamino-N-(1-phenylpropan-2-yl)hexanamide;methanesulfonic acid
CID 169442795
(2S)-2,6-diamino-N-(2-hydroxyphenyl)hexanamide
CID 172827982
ethyl 2-amino-3-(benzenesulfonamido)-3-oxopropanoate
CID 103308934
2-amino-4-methyl-N-(4-phenylphenyl)sulfonylpentanamide
CID 145138135
benzyl 6-amino-2-(2,6-diaminohexanoylamino)hexanoate
CID 57051472
benzyl 2,6-diaminohexanoate;hydrochloride
CID 67841130
(2S)-2,5-diamino-N-(1,3-diphenylpropan-2-yl)pentanamide
CID 155539641
(2S)-2,6-diamino-N-[1-(2-hydroxyphenyl)propan-2-yl]hexanamide
CID 156568497
(2S)-2,6-diamino-N-[(2S)-1-phenylpropan-2-yl]hexanamide;dihydrochloride
CID 76973395
[(1R)-1-[[(2S)-2,6-diaminohexanoyl]amino]-2-phenylethyl]boronic acid
CID 74765795

Frequently Asked Questions

What is the IUPAC name of (2S)-2,6-diamino-N-(benzenesulfonyl)hexanamide?
The IUPAC name of (2S)-2,6-diamino-N-(benzenesulfonyl)hexanamide (CID 67920805) is (2S)-2,6-diamino-N-(benzenesulfonyl)hexanamide.
What is the SMILES notation for (2S)-2,6-diamino-N-(benzenesulfonyl)hexanamide?
The canonical SMILES for (2S)-2,6-diamino-N-(benzenesulfonyl)hexanamide is NCCCC[C@H](N)C(=O)NS(=O)(=O)c1ccccc1.
What is the InChIKey of (2S)-2,6-diamino-N-(benzenesulfonyl)hexanamide?
The InChIKey is FOGZWOCKJNZOFM-NSHDSACASA-N. The full InChI is InChI=1S/C12H19N3O3S/c13-9-5-4-8-11(14)12(16)15-19(17,18)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9,13-14H2,(H,15,16)/t11-/m0/s1.
What are the key properties of (2S)-2,6-diamino-N-(benzenesulfonyl)hexanamide?
(2S)-2,6-diamino-N-(benzenesulfonyl)hexanamide has a molecular weight of 285.37 g/mol, XLogP of -0.05, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,6-diamino-N-(benzenesulfonyl)hexanamide is sourced from PubChem (CID 67920805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).