(2S)-2,6-diamino-N-(thiophen-2-ylmethyl)hexanamide

C11H19N3OS — CID 70869921

IUPAC(2S)-2,6-diamino-N-(thiophen-2-ylmethyl)hexanamide
SMILESNCCCC[C@H](N)C(=O)NCc1cccs1
InChIInChI=1S/C11H19N3OS/c12-6-2-1-5-10(13)11(15)14-8-9-4-3-7-16-9/h3-4,7,10H,1-2,5-6,8,12-13H2,(H,14,15)/t10-/m0/s1
InChIKeyXNZJYOARBPONJA-JTQLQIEISA-N
MW241.36 g/mol
LogP0.82
Rot. Bonds7

About (2S)-2,6-diamino-N-(thiophen-2-ylmethyl)hexanamide

(2S)-2,6-diamino-N-(thiophen-2-ylmethyl)hexanamide (PubChem CID 70869921) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is (2S)-2,6-diamino-N-(thiophen-2-ylmethyl)hexanamide.

Molecular Properties

Compound Name(2S)-2,6-diamino-N-(thiophen-2-ylmethyl)hexanamide
PubChem CID70869921
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name(2S)-2,6-diamino-N-(thiophen-2-ylmethyl)hexanamide
SMILESNCCCC[C@H](N)C(=O)NCc1cccs1
InChIInChI=1S/C11H19N3OS/c12-6-2-1-5-10(13)11(15)14-8-9-4-3-7-16-9/h3-4,7,10H,1-2,5-6,8,12-13H2,(H,14,15)/t10-/m0/s1
InChIKeyXNZJYOARBPONJA-JTQLQIEISA-N
XLogP0.82
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide
CID 22690032
(2S)-2-amino-3-phenyl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 170910029
(2S)-2,6-diamino-N-[2-[[(2S)-2,6-diaminohexanoyl]amino]ethyl]hexanamide
CID 57079658
(2S,3S)-2-amino-3-methyl-N-(thiophen-2-ylmethyl)pentanamide
CID 42307464
2-methyl-3-oxo-3-(thiophen-2-ylmethylamino)propanoic acid
CID 114897313
(2S)-2-amino-4-phenyl-N-(2-thiophen-2-ylethyl)butanamide
CID 104983787
2,6-diamino-N-[10-(2,6-diaminohexanoylamino)decyl]hexanamide
CID 4011235
2-(hydroxymethyl)-3-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 115187274
2,6-diamino-N-[(6-chloro-3-pyridinyl)methyl]hexanamide
CID 90860772
(2S)-2,6-diamino-N-(benzenesulfonyl)hexanamide
CID 67920805
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
(2S)-2-amino-N-[(2S)-6-amino-1-(3,4-dimethylphenoxy)hexan-2-yl]-3-thiophen-2-ylpropanamide
CID 70294424

Frequently Asked Questions

What is the IUPAC name of (2S)-2,6-diamino-N-(thiophen-2-ylmethyl)hexanamide?
The IUPAC name of (2S)-2,6-diamino-N-(thiophen-2-ylmethyl)hexanamide (CID 70869921) is (2S)-2,6-diamino-N-(thiophen-2-ylmethyl)hexanamide.
What is the SMILES notation for (2S)-2,6-diamino-N-(thiophen-2-ylmethyl)hexanamide?
The canonical SMILES for (2S)-2,6-diamino-N-(thiophen-2-ylmethyl)hexanamide is NCCCC[C@H](N)C(=O)NCc1cccs1.
What is the InChIKey of (2S)-2,6-diamino-N-(thiophen-2-ylmethyl)hexanamide?
The InChIKey is XNZJYOARBPONJA-JTQLQIEISA-N. The full InChI is InChI=1S/C11H19N3OS/c12-6-2-1-5-10(13)11(15)14-8-9-4-3-7-16-9/h3-4,7,10H,1-2,5-6,8,12-13H2,(H,14,15)/t10-/m0/s1.
What are the key properties of (2S)-2,6-diamino-N-(thiophen-2-ylmethyl)hexanamide?
(2S)-2,6-diamino-N-(thiophen-2-ylmethyl)hexanamide has a molecular weight of 241.36 g/mol, XLogP of 0.82, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,6-diamino-N-(thiophen-2-ylmethyl)hexanamide is sourced from PubChem (CID 70869921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).