2-acetamido-3-sulfanyl-N-[3-(triazol-1-yl)propyl]propanamide

C10H17N5O2S — CID 107769845

IUPAC2-acetamido-3-sulfanyl-N-[3-(triazol-1-yl)propyl]propanamide
SMILESCC(=O)NC(CS)C(=O)NCCCn1ccnn1
InChIInChI=1S/C10H17N5O2S/c1-8(16)13-9(7-18)10(17)11-3-2-5-15-6-4-12-14-15/h4,6,9,18H,2-3,5,7H2,1H3,(H,11,17)(H,13,16)
InChIKeyPRIGZKBPNZMQAQ-UHFFFAOYSA-N
MW271.35 g/mol
LogP-0.78
Rot. Bonds7

About 2-acetamido-3-sulfanyl-N-[3-(triazol-1-yl)propyl]propanamide

2-acetamido-3-sulfanyl-N-[3-(triazol-1-yl)propyl]propanamide (PubChem CID 107769845) has the molecular formula C10H17N5O2S and a molecular weight of 271.35 g/mol. Its IUPAC name is 2-acetamido-3-sulfanyl-N-[3-(triazol-1-yl)propyl]propanamide.

Molecular Properties

Compound Name2-acetamido-3-sulfanyl-N-[3-(triazol-1-yl)propyl]propanamide
PubChem CID107769845
Molecular FormulaC10H17N5O2S
Molecular Weight271.35 g/mol
Exact Mass271.11
IUPAC Name2-acetamido-3-sulfanyl-N-[3-(triazol-1-yl)propyl]propanamide
SMILESCC(=O)NC(CS)C(=O)NCCCn1ccnn1
InChIInChI=1S/C10H17N5O2S/c1-8(16)13-9(7-18)10(17)11-3-2-5-15-6-4-12-14-15/h4,6,9,18H,2-3,5,7H2,1H3,(H,11,17)(H,13,16)
InChIKeyPRIGZKBPNZMQAQ-UHFFFAOYSA-N
XLogP-0.78
TPSA88.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-N-[4-(triazol-1-yl)butyl]butanamide
CID 75453912
2-imidazol-1-yl-N-[3-(triazol-1-yl)propyl]propanamide
CID 119069659
3-amino-2-methoxy-N-[3-(triazol-1-yl)propyl]propanamide
CID 106113671
(2S)-2-amino-N-[3-(triazol-1-yl)propyl]hexanamide
CID 107146486
2-amino-3-(4-hydroxyphenyl)-N-[3-(triazol-1-yl)propyl]propanamide
CID 114350714
2-methyl-2-[3-(triazol-1-yl)propylcarbamoylamino]propanoic acid
CID 113413133
(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[3-(triazol-1-yl)propyl]propanamide
CID 124616477
1-[4-(triazol-1-yl)butyl]triazole
CID 90925029
1-acetyl-N-[3-(triazol-1-yl)propyl]piperidine-3-carboxamide
CID 72883089
2-acetamido-N-(2-pyridin-4-ylethyl)-3-sulfanylpropanamide
CID 107769161
(2S)-4-methyl-2-[2-(triazol-1-yl)ethylcarbamoylamino]pentanoic acid
CID 113413075
2-acetamido-N-[2-(carbamoylamino)ethyl]-3-sulfanylpropanamide
CID 107769803

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-sulfanyl-N-[3-(triazol-1-yl)propyl]propanamide?
The IUPAC name of 2-acetamido-3-sulfanyl-N-[3-(triazol-1-yl)propyl]propanamide (CID 107769845) is 2-acetamido-3-sulfanyl-N-[3-(triazol-1-yl)propyl]propanamide.
What is the SMILES notation for 2-acetamido-3-sulfanyl-N-[3-(triazol-1-yl)propyl]propanamide?
The canonical SMILES for 2-acetamido-3-sulfanyl-N-[3-(triazol-1-yl)propyl]propanamide is CC(=O)NC(CS)C(=O)NCCCn1ccnn1.
What is the InChIKey of 2-acetamido-3-sulfanyl-N-[3-(triazol-1-yl)propyl]propanamide?
The InChIKey is PRIGZKBPNZMQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2S/c1-8(16)13-9(7-18)10(17)11-3-2-5-15-6-4-12-14-15/h4,6,9,18H,2-3,5,7H2,1H3,(H,11,17)(H,13,16).
What are the key properties of 2-acetamido-3-sulfanyl-N-[3-(triazol-1-yl)propyl]propanamide?
2-acetamido-3-sulfanyl-N-[3-(triazol-1-yl)propyl]propanamide has a molecular weight of 271.35 g/mol, XLogP of -0.78, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-sulfanyl-N-[3-(triazol-1-yl)propyl]propanamide is sourced from PubChem (CID 107769845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).