(dipentylamino)carbamodithioic acid

C11H24N2S2 — CID 158653058

IUPAC(dipentylamino)carbamodithioic acid
SMILESCCCCCN(CCCCC)NC(=S)S
InChIInChI=1S/C11H24N2S2/c1-3-5-7-9-13(12-11(14)15)10-8-6-4-2/h3-10H2,1-2H3,(H2,12,14,15)
InChIKeyRIZQHILLGJAPAU-UHFFFAOYSA-N
MW248.46 g/mol
LogP3.39
Rot. Bonds9

About (dipentylamino)carbamodithioic acid

(dipentylamino)carbamodithioic acid (PubChem CID 158653058) has the molecular formula C11H24N2S2 and a molecular weight of 248.46 g/mol. Its IUPAC name is (dipentylamino)carbamodithioic acid.

Molecular Properties

Compound Name(dipentylamino)carbamodithioic acid
PubChem CID158653058
Molecular FormulaC11H24N2S2
Molecular Weight248.46 g/mol
Exact Mass248.14
IUPAC Name(dipentylamino)carbamodithioic acid
SMILESCCCCCN(CCCCC)NC(=S)S
InChIInChI=1S/C11H24N2S2/c1-3-5-7-9-13(12-11(14)15)10-8-6-4-2/h3-10H2,1-2H3,(H2,12,14,15)
InChIKeyRIZQHILLGJAPAU-UHFFFAOYSA-N
XLogP3.39
TPSA15.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.46
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Piperidinylcarbamodithioic acid
CID 3038140
5-(Diethylamino)pentanethiohydrazide
CID 58390871
(Dipentylamino)thiourea
CID 118437494
(Dipentylamino)thiourea;thiourea
CID 118437524
zinc bis(N-(dipentylamino)carbamodithioate)
CID 158653057
(Dibutylamino)carbamodithioic acid
CID 160359416
(Dibutylamino)carbamodithioic acid;ZINC
CID 174752892
N,N-dibutylbutan-1-amine;piperidin-1-ylcarbamodithioic acid
CID 175135356

Frequently Asked Questions

What is the IUPAC name of (dipentylamino)carbamodithioic acid?
The IUPAC name of (dipentylamino)carbamodithioic acid (CID 158653058) is (dipentylamino)carbamodithioic acid.
What is the SMILES notation for (dipentylamino)carbamodithioic acid?
The canonical SMILES for (dipentylamino)carbamodithioic acid is CCCCCN(CCCCC)NC(=S)S.
What is the InChIKey of (dipentylamino)carbamodithioic acid?
The InChIKey is RIZQHILLGJAPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2S2/c1-3-5-7-9-13(12-11(14)15)10-8-6-4-2/h3-10H2,1-2H3,(H2,12,14,15).
What are the key properties of (dipentylamino)carbamodithioic acid?
(dipentylamino)carbamodithioic acid has a molecular weight of 248.46 g/mol, XLogP of 3.39, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (dipentylamino)carbamodithioic acid is sourced from PubChem (CID 158653058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).