acetamide;3,3-bis(sulfanyl)pentanamide;dihydrochloride

C7H18Cl2N2O2S2 — CID 163214462

IUPACacetamide;3,3-bis(sulfanyl)pentanamide;dihydrochloride
SMILESCC(N)=O.CCC(S)(S)CC(N)=O.Cl.Cl
InChIInChI=1S/C5H11NOS2.C2H5NO.2ClH/c1-2-5(8,9)3-4(6)7;1-2(3)4;;/h8-9H,2-3H2,1H3,(H2,6,7);1H3,(H2,3,4);2*1H
InChIKeyNRODEGZUJXKSFG-UHFFFAOYSA-N
MW297.27 g/mol
LogP1.16
Rot. Bonds3

About acetamide;3,3-bis(sulfanyl)pentanamide;dihydrochloride

acetamide;3,3-bis(sulfanyl)pentanamide;dihydrochloride (PubChem CID 163214462) has the molecular formula C7H18Cl2N2O2S2 and a molecular weight of 297.27 g/mol. Its IUPAC name is acetamide;3,3-bis(sulfanyl)pentanamide;dihydrochloride.

Molecular Properties

Compound Nameacetamide;3,3-bis(sulfanyl)pentanamide;dihydrochloride
PubChem CID163214462
Molecular FormulaC7H18Cl2N2O2S2
Molecular Weight297.27 g/mol
Exact Mass296.02
IUPAC Nameacetamide;3,3-bis(sulfanyl)pentanamide;dihydrochloride
SMILESCC(N)=O.CCC(S)(S)CC(N)=O.Cl.Cl
InChIInChI=1S/C5H11NOS2.C2H5NO.2ClH/c1-2-5(8,9)3-4(6)7;1-2(3)4;;/h8-9H,2-3H2,1H3,(H2,6,7);1H3,(H2,3,4);2*1H
InChIKeyNRODEGZUJXKSFG-UHFFFAOYSA-N
XLogP1.16
TPSA86.18 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 51.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-(2-amino-2-oxoethyl)-3-methylpentanediamide
CID 86237649
3,3-diethyl-5-hydroxypentanamide
CID 21402990
acetamide;pentanamide;dihydrochloride
CID 141201232
acetamide
CID 139024037
propanamide;hydrate;hydrochloride
CID 19791604
3-methyl-3-(methylamino)pentanamide
CID 65236243
3,3-dimethylbutanamide;2-methanidyl-2-methylpropane;yttrium
CID 154649078
acetamide;carbamothioic S-acid
CID 160740835
triethoxysilyl 3,3-bis(sulfanyl)pentanoate
CID 87593886
3-acetamido-3-ethyl-4-methylpentanamide
CID 163651386
acetamide;decanamide;dihydrochloride
CID 141131942
3,3-dichlorobutanamide
CID 57160976

Frequently Asked Questions

What is the IUPAC name of acetamide;3,3-bis(sulfanyl)pentanamide;dihydrochloride?
The IUPAC name of acetamide;3,3-bis(sulfanyl)pentanamide;dihydrochloride (CID 163214462) is acetamide;3,3-bis(sulfanyl)pentanamide;dihydrochloride.
What is the SMILES notation for acetamide;3,3-bis(sulfanyl)pentanamide;dihydrochloride?
The canonical SMILES for acetamide;3,3-bis(sulfanyl)pentanamide;dihydrochloride is CC(N)=O.CCC(S)(S)CC(N)=O.Cl.Cl.
What is the InChIKey of acetamide;3,3-bis(sulfanyl)pentanamide;dihydrochloride?
The InChIKey is NRODEGZUJXKSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NOS2.C2H5NO.2ClH/c1-2-5(8,9)3-4(6)7;1-2(3)4;;/h8-9H,2-3H2,1H3,(H2,6,7);1H3,(H2,3,4);2*1H.
What are the key properties of acetamide;3,3-bis(sulfanyl)pentanamide;dihydrochloride?
acetamide;3,3-bis(sulfanyl)pentanamide;dihydrochloride has a molecular weight of 297.27 g/mol, XLogP of 1.16, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;3,3-bis(sulfanyl)pentanamide;dihydrochloride is sourced from PubChem (CID 163214462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).