5-(dimethylamino)pentylcarbamodithioic acid

C8H18N2S2 — CID 10398092

IUPAC5-(dimethylamino)pentylcarbamodithioic acid
SMILESCN(C)CCCCCNC(=S)S
InChIInChI=1S/C8H18N2S2/c1-10(2)7-5-3-4-6-9-8(11)12/h3-7H2,1-2H3,(H2,9,11,12)
InChIKeyRHUOJOZDZGKLNL-UHFFFAOYSA-N
MW206.38 g/mol
LogP1.52
Rot. Bonds6

About 5-(dimethylamino)pentylcarbamodithioic acid

5-(dimethylamino)pentylcarbamodithioic acid (PubChem CID 10398092) has the molecular formula C8H18N2S2 and a molecular weight of 206.38 g/mol. Its IUPAC name is 5-(dimethylamino)pentylcarbamodithioic acid.

Molecular Properties

Compound Name5-(dimethylamino)pentylcarbamodithioic acid
PubChem CID10398092
Molecular FormulaC8H18N2S2
Molecular Weight206.38 g/mol
Exact Mass206.09
IUPAC Name5-(dimethylamino)pentylcarbamodithioic acid
SMILESCN(C)CCCCCNC(=S)S
InChIInChI=1S/C8H18N2S2/c1-10(2)7-5-3-4-6-9-8(11)12/h3-7H2,1-2H3,(H2,9,11,12)
InChIKeyRHUOJOZDZGKLNL-UHFFFAOYSA-N
XLogP1.52
TPSA15.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.38
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(dimethylamino)pentylcarbamodithioic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-(dithiocarboxyamino)octylcarbamodithioic acid
CID 158913905
15-sulfanylpentadecylcarbamodithioic acid
CID 87691390
38-hydroxyoctatriacontylcarbamodithioic acid
CID 87690726
17-hydroxyheptadecylcarbamodithioic acid
CID 87691134
23-chlorotricosylcarbamodithioic acid
CID 87690774
28-iodooctacosylcarbamodithioic acid
CID 87691231
19-bromononadecylcarbamodithioic acid
CID 87691084
36-(dithiocarboxyamino)hexatriacontanedithioic acid
CID 87684858
27-iodoheptacosylcarbamodithioic acid
CID 87691248
22-aminodocosylcarbamodithioic acid
CID 87691165
23-iodotricosylcarbamodithioic acid
CID 87691353
22-bromodocosylcarbamodithioic acid
CID 87691244

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)pentylcarbamodithioic acid?
The IUPAC name of 5-(dimethylamino)pentylcarbamodithioic acid (CID 10398092) is 5-(dimethylamino)pentylcarbamodithioic acid.
What is the SMILES notation for 5-(dimethylamino)pentylcarbamodithioic acid?
The canonical SMILES for 5-(dimethylamino)pentylcarbamodithioic acid is CN(C)CCCCCNC(=S)S.
What is the InChIKey of 5-(dimethylamino)pentylcarbamodithioic acid?
The InChIKey is RHUOJOZDZGKLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2S2/c1-10(2)7-5-3-4-6-9-8(11)12/h3-7H2,1-2H3,(H2,9,11,12).
What are the key properties of 5-(dimethylamino)pentylcarbamodithioic acid?
5-(dimethylamino)pentylcarbamodithioic acid has a molecular weight of 206.38 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)pentylcarbamodithioic acid is sourced from PubChem (CID 10398092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).