osmium(1+);[3-oxo-3-sulfanyl-1-(1-sulfanylpiperidin-3-yl)propyl]-sulfanylazanide

C8H15N2OOsS3 — CID 142816738

IUPACosmium(1+);[3-oxo-3-sulfanyl-1-(1-sulfanylpiperidin-3-yl)propyl]-sulfanylazanide
SMILESO=C(S)CC([N-]S)C1CCCN(S)C1.[Os+]
InChIInChI=1S/C8H15N2OS3.Os/c11-8(12)4-7(9-13)6-2-1-3-10(14)5-6;/h6-7,13-14H,1-5H2,(H,11,12);/q-1;+1
InChIKeyOVFJYUBAXZHZOB-UHFFFAOYSA-N
MW441.65 g/mol
LogP1.97
Rot. Bonds4

About osmium(1+);[3-oxo-3-sulfanyl-1-(1-sulfanylpiperidin-3-yl)propyl]-sulfanylazanide

osmium(1+);[3-oxo-3-sulfanyl-1-(1-sulfanylpiperidin-3-yl)propyl]-sulfanylazanide (PubChem CID 142816738) has the molecular formula C8H15N2OOsS3 and a molecular weight of 441.65 g/mol. Its IUPAC name is osmium(1+);[3-oxo-3-sulfanyl-1-(1-sulfanylpiperidin-3-yl)propyl]-sulfanylazanide.

Molecular Properties

Compound Nameosmium(1+);[3-oxo-3-sulfanyl-1-(1-sulfanylpiperidin-3-yl)propyl]-sulfanylazanide
PubChem CID142816738
Molecular FormulaC8H15N2OOsS3
Molecular Weight441.65 g/mol
Exact Mass443.00
IUPAC Nameosmium(1+);[3-oxo-3-sulfanyl-1-(1-sulfanylpiperidin-3-yl)propyl]-sulfanylazanide
SMILESO=C(S)CC([N-]S)C1CCCN(S)C1.[Os+]
InChIInChI=1S/C8H15N2OS3.Os/c11-8(12)4-7(9-13)6-2-1-3-10(14)5-6;/h6-7,13-14H,1-5H2,(H,11,12);/q-1;+1
InChIKeyOVFJYUBAXZHZOB-UHFFFAOYSA-N
XLogP1.97
TPSA34.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.65
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-propan-2-yl-1-sulfanylpiperidine
CID 126691243
phosphanyl-(1-sulfanylpiperidin-3-yl)methanone
CID 145353930
3-[1-(cyclopentanecarbonyl)piperidin-3-yl]butanoic acid
CID 81046487
1-[3-(1-aminoethyl)piperidin-1-yl]-2-ethylsulfonylethanone
CID 119595149
3-[1-(2,6-dimethylheptan-4-yl)piperidin-3-yl]butanoic acid
CID 114867007
1-methylpiperidine-3-carbothioic S-acid
CID 116918903
3-[1-(4-methoxy-4-methylpentan-2-yl)piperidin-3-yl]butanoic acid
CID 81046314
2-(1-acetylpiperidin-3-yl)butanoic acid
CID 82613153
(2R)-2-amino-4-methylsulfanyl-1-(4-propan-2-ylazepan-1-yl)butan-1-one
CID 104908549
2-(1-acetylpiperidin-3-yl)-2-hydroxyacetic acid
CID 131491204
2-[3-(difluoromethyl)piperidin-1-yl]acetic acid
CID 121215404
(2R)-2-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]butanoic acid
CID 129495909

Frequently Asked Questions

What is the IUPAC name of osmium(1+);[3-oxo-3-sulfanyl-1-(1-sulfanylpiperidin-3-yl)propyl]-sulfanylazanide?
The IUPAC name of osmium(1+);[3-oxo-3-sulfanyl-1-(1-sulfanylpiperidin-3-yl)propyl]-sulfanylazanide (CID 142816738) is osmium(1+);[3-oxo-3-sulfanyl-1-(1-sulfanylpiperidin-3-yl)propyl]-sulfanylazanide.
What is the SMILES notation for osmium(1+);[3-oxo-3-sulfanyl-1-(1-sulfanylpiperidin-3-yl)propyl]-sulfanylazanide?
The canonical SMILES for osmium(1+);[3-oxo-3-sulfanyl-1-(1-sulfanylpiperidin-3-yl)propyl]-sulfanylazanide is O=C(S)CC([N-]S)C1CCCN(S)C1.[Os+].
What is the InChIKey of osmium(1+);[3-oxo-3-sulfanyl-1-(1-sulfanylpiperidin-3-yl)propyl]-sulfanylazanide?
The InChIKey is OVFJYUBAXZHZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N2OS3.Os/c11-8(12)4-7(9-13)6-2-1-3-10(14)5-6;/h6-7,13-14H,1-5H2,(H,11,12);/q-1;+1.
What are the key properties of osmium(1+);[3-oxo-3-sulfanyl-1-(1-sulfanylpiperidin-3-yl)propyl]-sulfanylazanide?
osmium(1+);[3-oxo-3-sulfanyl-1-(1-sulfanylpiperidin-3-yl)propyl]-sulfanylazanide has a molecular weight of 441.65 g/mol, XLogP of 1.97, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for osmium(1+);[3-oxo-3-sulfanyl-1-(1-sulfanylpiperidin-3-yl)propyl]-sulfanylazanide is sourced from PubChem (CID 142816738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).