2-acetamido-6-amino-3-sulfanylhexanamide

C8H17N3O2S — CID 139245344

IUPAC2-acetamido-6-amino-3-sulfanylhexanamide
SMILESCC(=O)NC(C(N)=O)C(S)CCCN
InChIInChI=1S/C8H17N3O2S/c1-5(12)11-7(8(10)13)6(14)3-2-4-9/h6-7,14H,2-4,9H2,1H3,(H2,10,13)(H,11,12)
InChIKeyJQFSJVVJUQZMBQ-UHFFFAOYSA-N
MW219.31 g/mol
LogP-0.99
Rot. Bonds6

About 2-acetamido-6-amino-3-sulfanylhexanamide

2-acetamido-6-amino-3-sulfanylhexanamide (PubChem CID 139245344) has the molecular formula C8H17N3O2S and a molecular weight of 219.31 g/mol. Its IUPAC name is 2-acetamido-6-amino-3-sulfanylhexanamide.

Molecular Properties

Compound Name2-acetamido-6-amino-3-sulfanylhexanamide
PubChem CID139245344
Molecular FormulaC8H17N3O2S
Molecular Weight219.31 g/mol
Exact Mass219.10
IUPAC Name2-acetamido-6-amino-3-sulfanylhexanamide
SMILESCC(=O)NC(C(N)=O)C(S)CCCN
InChIInChI=1S/C8H17N3O2S/c1-5(12)11-7(8(10)13)6(14)3-2-4-9/h6-7,14H,2-4,9H2,1H3,(H2,10,13)(H,11,12)
InChIKeyJQFSJVVJUQZMBQ-UHFFFAOYSA-N
XLogP-0.99
TPSA98.21 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 5-0.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-acetamido-5-amino-5-oxo-3-sulfanylpentanoic acid
CID 139245341
N-[(3S)-6-aminohexan-3-yl]acetamide
CID 143107836
(2S)-2-acetamido-6-aminohexanamide
CID 7021885
2-acetamido-6-aminohexanamide;hydrochloride
CID 74765100
(2R)-2-acetamido-3-methylbutanamide
CID 40561650
(2S)-2-[[(2S,3S)-2-acetamido-3-hydroxybutanoyl]amino]-6-aminohexanamide
CID 138591531
(2S,3S)-2-acetamido-3-methylpentanamide
CID 6950966
N-[(2R)-2,5-diaminopentyl]acetamide
CID 137385208
(3S)-6-amino-3-(methylamino)hexan-2-one
CID 59098893
3-sulfanyl-2-[(2-sulfanylacetyl)amino]pentanediamide
CID 174474418
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]-6-aminohexanamide
CID 42640815
(2S)-2-acetamido-5-aminopentanoic acid;(2S)-2,5-diaminopentanoic acid
CID 159030403

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-6-amino-3-sulfanylhexanamide?
The IUPAC name of 2-acetamido-6-amino-3-sulfanylhexanamide (CID 139245344) is 2-acetamido-6-amino-3-sulfanylhexanamide.
What is the SMILES notation for 2-acetamido-6-amino-3-sulfanylhexanamide?
The canonical SMILES for 2-acetamido-6-amino-3-sulfanylhexanamide is CC(=O)NC(C(N)=O)C(S)CCCN.
What is the InChIKey of 2-acetamido-6-amino-3-sulfanylhexanamide?
The InChIKey is JQFSJVVJUQZMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2S/c1-5(12)11-7(8(10)13)6(14)3-2-4-9/h6-7,14H,2-4,9H2,1H3,(H2,10,13)(H,11,12).
What are the key properties of 2-acetamido-6-amino-3-sulfanylhexanamide?
2-acetamido-6-amino-3-sulfanylhexanamide has a molecular weight of 219.31 g/mol, XLogP of -0.99, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-6-amino-3-sulfanylhexanamide is sourced from PubChem (CID 139245344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).