N'-[5-(dithiolan-3-yl)pentanoyl]adamantane-1-carbohydrazide

C19H30N2O2S2 — CID 24640760

IUPACN'-[5-(dithiolan-3-yl)pentanoyl]adamantane-1-carbohydrazide
SMILESO=C(CCCCC1CCSS1)NNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H30N2O2S2/c22-17(4-2-1-3-16-5-6-24-25-16)20-21-18(23)19-10-13-7-14(11-19)9-15(8-13)12-19/h13-16H,1-12H2,(H,20,22)(H,21,23)
InChIKeyUUTIEEXXSWKTLV-UHFFFAOYSA-N
MW382.60 g/mol
LogP4.06
Rot. Bonds6

About N'-[5-(dithiolan-3-yl)pentanoyl]adamantane-1-carbohydrazide

N'-[5-(dithiolan-3-yl)pentanoyl]adamantane-1-carbohydrazide (PubChem CID 24640760) has the molecular formula C19H30N2O2S2 and a molecular weight of 382.60 g/mol. Its IUPAC name is N'-[5-(dithiolan-3-yl)pentanoyl]adamantane-1-carbohydrazide.

Molecular Properties

Compound NameN'-[5-(dithiolan-3-yl)pentanoyl]adamantane-1-carbohydrazide
PubChem CID24640760
Molecular FormulaC19H30N2O2S2
Molecular Weight382.60 g/mol
Exact Mass382.17
IUPAC NameN'-[5-(dithiolan-3-yl)pentanoyl]adamantane-1-carbohydrazide
SMILESO=C(CCCCC1CCSS1)NNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H30N2O2S2/c22-17(4-2-1-3-16-5-6-24-25-16)20-21-18(23)19-10-13-7-14(11-19)9-15(8-13)12-19/h13-16H,1-12H2,(H,20,22)(H,21,23)
InChIKeyUUTIEEXXSWKTLV-UHFFFAOYSA-N
XLogP4.06
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.60
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-[5-(dithiolan-3-yl)pentanoyl]adamantane-1-carbohydrazide with MolForge

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Related Compounds

5-(dithiolan-3-yl)-N-iodopentanamide
CID 90260241
N'-butanoyladamantane-1-carbohydrazide
CID 24538351
5-[(3S)-dithiolan-3-yl]-N-(3-hydroxypropyl)pentanamide
CID 96544742
5-(dithiolan-3-yl)-N-[2-[(2-hydroxyacetyl)amino]ethyl]pentanamide
CID 87772162
5-[(3S)-dithiolan-3-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pentanamide
CID 95908672
5-(dithiolan-3-yl)pentanoic acid;hydrochloride
CID 87930761
5-[(3R)-dithiolan-3-yl]-N-(2-hydroxyethoxy)pentanamide
CID 171562314
sodium 5-[(3S)-dithiolan-3-yl]pentanoate
CID 23693625
potassium;5-(dithiolan-3-yl)pentanoic acid;hydride
CID 174478927
1-[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-5-[(3S)-dithiolan-3-yl]pentan-1-one
CID 95164397
5-(dithiolan-3-yl)pentanal
CID 23587421
3-[5-(dithiolan-3-yl)pentanoylamino]propane-1-sulfonic acid
CID 91864609

Frequently Asked Questions

What is the IUPAC name of N'-[5-(dithiolan-3-yl)pentanoyl]adamantane-1-carbohydrazide?
The IUPAC name of N'-[5-(dithiolan-3-yl)pentanoyl]adamantane-1-carbohydrazide (CID 24640760) is N'-[5-(dithiolan-3-yl)pentanoyl]adamantane-1-carbohydrazide.
What is the SMILES notation for N'-[5-(dithiolan-3-yl)pentanoyl]adamantane-1-carbohydrazide?
The canonical SMILES for N'-[5-(dithiolan-3-yl)pentanoyl]adamantane-1-carbohydrazide is O=C(CCCCC1CCSS1)NNC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N'-[5-(dithiolan-3-yl)pentanoyl]adamantane-1-carbohydrazide?
The InChIKey is UUTIEEXXSWKTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2S2/c22-17(4-2-1-3-16-5-6-24-25-16)20-21-18(23)19-10-13-7-14(11-19)9-15(8-13)12-19/h13-16H,1-12H2,(H,20,22)(H,21,23).
What are the key properties of N'-[5-(dithiolan-3-yl)pentanoyl]adamantane-1-carbohydrazide?
N'-[5-(dithiolan-3-yl)pentanoyl]adamantane-1-carbohydrazide has a molecular weight of 382.60 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-(dithiolan-3-yl)pentanoyl]adamantane-1-carbohydrazide is sourced from PubChem (CID 24640760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).