(2S)-2-amino-5-[[amino-(2-methoxyethylamino)methylidene]amino]-N-methylsulfonylpentanamide

C10H23N5O4S — CID 122382582

IUPAC(2S)-2-amino-5-[[amino-(2-methoxyethylamino)methylidene]amino]-N-methylsulfonylpentanamide
SMILESCOCCN/C(N)=N/CCC[C@H](N)C(=O)NS(C)(=O)=O
InChIInChI=1S/C10H23N5O4S/c1-19-7-6-14-10(12)13-5-3-4-8(11)9(16)15-20(2,17)18/h8H,3-7,11H2,1-2H3,(H,15,16)(H3,12,13,14)/t8-/m0/s1
InChIKeyHXDQLJWDFPZZSF-QMMMGPOBSA-N
MW309.39 g/mol
LogP-2.28
Rot. Bonds9

About (2S)-2-amino-5-[[amino-(2-methoxyethylamino)methylidene]amino]-N-methylsulfonylpentanamide

(2S)-2-amino-5-[[amino-(2-methoxyethylamino)methylidene]amino]-N-methylsulfonylpentanamide (PubChem CID 122382582) has the molecular formula C10H23N5O4S and a molecular weight of 309.39 g/mol. Its IUPAC name is (2S)-2-amino-5-[[amino-(2-methoxyethylamino)methylidene]amino]-N-methylsulfonylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-5-[[amino-(2-methoxyethylamino)methylidene]amino]-N-methylsulfonylpentanamide
PubChem CID122382582
Molecular FormulaC10H23N5O4S
Molecular Weight309.39 g/mol
Exact Mass309.15
IUPAC Name(2S)-2-amino-5-[[amino-(2-methoxyethylamino)methylidene]amino]-N-methylsulfonylpentanamide
SMILESCOCCN/C(N)=N/CCC[C@H](N)C(=O)NS(C)(=O)=O
InChIInChI=1S/C10H23N5O4S/c1-19-7-6-14-10(12)13-5-3-4-8(11)9(16)15-20(2,17)18/h8H,3-7,11H2,1-2H3,(H,15,16)(H3,12,13,14)/t8-/m0/s1
InChIKeyHXDQLJWDFPZZSF-QMMMGPOBSA-N
XLogP-2.28
TPSA148.90 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 5-2.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

(2S)-2-amino-5-[[amino-(2-methoxyethylamino)methylidene]amino]-N-methylpentanamide
CID 11160923
butyl 2-amino-4-[[amino-(2-methoxyethylamino)methylidene]amino]butanoate
CID 72796651
propan-2-yl 2-amino-4-[[amino-(2-methoxyethylamino)methylidene]amino]butanoate
CID 73080289
2-[3-[ethyl(methylsulfonyl)amino]propyl]-1-(2-methoxyethyl)guanidine;hydroiodide
CID 110917859
1-(2-methoxyethyl)-2-(7-methyloctyl)guanidine;hydroiodide
CID 110925122
2-[2-(2-methoxyethoxy)ethyl]-1-(2-methoxyethyl)guanidine
CID 110918294
2-amino-N-ethylsulfonyl-5-methoxypentanamide
CID 103307121
2-amino-5-methoxy-N-(3-methoxypropyl)pentanamide
CID 81081158
(2-methoxyphenyl)methyl (2S)-2-amino-4-[[amino-(2-methoxyethylamino)methylidene]amino]butanoate
CID 66999238
2-(5-methoxypentyl)-1-(3-methylbutyl)guanidine
CID 111087551
methyl 3-[[amino-(2-methoxyethylamino)methylidene]amino]-2-methylpropanoate
CID 110930535
(2R)-2-amino-5-[[amino(ethylamino)methylidene]amino]pentanoic acid
CID 10798159

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-[[amino-(2-methoxyethylamino)methylidene]amino]-N-methylsulfonylpentanamide?
The IUPAC name of (2S)-2-amino-5-[[amino-(2-methoxyethylamino)methylidene]amino]-N-methylsulfonylpentanamide (CID 122382582) is (2S)-2-amino-5-[[amino-(2-methoxyethylamino)methylidene]amino]-N-methylsulfonylpentanamide.
What is the SMILES notation for (2S)-2-amino-5-[[amino-(2-methoxyethylamino)methylidene]amino]-N-methylsulfonylpentanamide?
The canonical SMILES for (2S)-2-amino-5-[[amino-(2-methoxyethylamino)methylidene]amino]-N-methylsulfonylpentanamide is COCCN/C(N)=N/CCC[C@H](N)C(=O)NS(C)(=O)=O.
What is the InChIKey of (2S)-2-amino-5-[[amino-(2-methoxyethylamino)methylidene]amino]-N-methylsulfonylpentanamide?
The InChIKey is HXDQLJWDFPZZSF-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H23N5O4S/c1-19-7-6-14-10(12)13-5-3-4-8(11)9(16)15-20(2,17)18/h8H,3-7,11H2,1-2H3,(H,15,16)(H3,12,13,14)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-5-[[amino-(2-methoxyethylamino)methylidene]amino]-N-methylsulfonylpentanamide?
(2S)-2-amino-5-[[amino-(2-methoxyethylamino)methylidene]amino]-N-methylsulfonylpentanamide has a molecular weight of 309.39 g/mol, XLogP of -2.28, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-[[amino-(2-methoxyethylamino)methylidene]amino]-N-methylsulfonylpentanamide is sourced from PubChem (CID 122382582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).