5-(dithiolan-3-yl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide

C15H28N2O2S2 — CID 134057623

IUPAC5-(dithiolan-3-yl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide
SMILESCCN(CC(=O)NC(C)C)C(=O)CCCCC1CCSS1
InChIInChI=1S/C15H28N2O2S2/c1-4-17(11-14(18)16-12(2)3)15(19)8-6-5-7-13-9-10-20-21-13/h12-13H,4-11H2,1-3H3,(H,16,18)
InChIKeyYDLYCHJPYAHXRQ-UHFFFAOYSA-N
MW332.54 g/mol
LogP3.07
Rot. Bonds9

About 5-(dithiolan-3-yl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide

5-(dithiolan-3-yl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide (PubChem CID 134057623) has the molecular formula C15H28N2O2S2 and a molecular weight of 332.54 g/mol. Its IUPAC name is 5-(dithiolan-3-yl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide.

Molecular Properties

Compound Name5-(dithiolan-3-yl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide
PubChem CID134057623
Molecular FormulaC15H28N2O2S2
Molecular Weight332.54 g/mol
Exact Mass332.16
IUPAC Name5-(dithiolan-3-yl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide
SMILESCCN(CC(=O)NC(C)C)C(=O)CCCCC1CCSS1
InChIInChI=1S/C15H28N2O2S2/c1-4-17(11-14(18)16-12(2)3)15(19)8-6-5-7-13-9-10-20-21-13/h12-13H,4-11H2,1-3H3,(H,16,18)
InChIKeyYDLYCHJPYAHXRQ-UHFFFAOYSA-N
XLogP3.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.54
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]heptanamide
CID 54869086
methyl (2S)-2-[5-[(3R)-dithiolan-3-yl]pentanoyl-methylamino]propanoate
CID 146597355
(2S)-2-[5-[(3R)-dithiolan-3-yl]pentanoyl-methylamino]propanoic acid
CID 146650283
8-(dithiolan-3-yl)-3-methyloct-1-en-4-one
CID 142307959
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-(propan-2-ylamino)propanamide
CID 54869110
2-hydroxypropyl 5-(dithiolan-3-yl)pentanoate
CID 168800404
5-(dithiolan-3-yl)-N-[4-(propanoylamino)phenyl]pentanamide
CID 55847390
(3R)-3-(5-methylhex-5-enyl)dithiolane;propane
CID 155594485
5-(dithiolan-3-yl)pentanoic acid;hydrochloride
CID 87930761
potassium;5-(dithiolan-3-yl)pentanoic acid;hydride
CID 174478927
5-(dithiolan-3-yl)-1-pyrrolidin-1-ylpentan-1-one
CID 18358037
2-(azetidin-3-yl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 64610759

Frequently Asked Questions

What is the IUPAC name of 5-(dithiolan-3-yl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide?
The IUPAC name of 5-(dithiolan-3-yl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide (CID 134057623) is 5-(dithiolan-3-yl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide.
What is the SMILES notation for 5-(dithiolan-3-yl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide?
The canonical SMILES for 5-(dithiolan-3-yl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide is CCN(CC(=O)NC(C)C)C(=O)CCCCC1CCSS1.
What is the InChIKey of 5-(dithiolan-3-yl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide?
The InChIKey is YDLYCHJPYAHXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2S2/c1-4-17(11-14(18)16-12(2)3)15(19)8-6-5-7-13-9-10-20-21-13/h12-13H,4-11H2,1-3H3,(H,16,18).
What are the key properties of 5-(dithiolan-3-yl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide?
5-(dithiolan-3-yl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide has a molecular weight of 332.54 g/mol, XLogP of 3.07, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dithiolan-3-yl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide is sourced from PubChem (CID 134057623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).