4-(dipropylamino)butanethioamide

C10H22N2S — CID 24708110

IUPAC4-(dipropylamino)butanethioamide
SMILESCCCN(CCC)CCCC(N)=S
InChIInChI=1S/C10H22N2S/c1-3-7-12(8-4-2)9-5-6-10(11)13/h3-9H2,1-2H3,(H2,11,13)
InChIKeyARTYCXIXMDDGII-UHFFFAOYSA-N
MW202.37 g/mol
LogP2.17
Rot. Bonds8

About 4-(dipropylamino)butanethioamide

4-(dipropylamino)butanethioamide (PubChem CID 24708110) has the molecular formula C10H22N2S and a molecular weight of 202.37 g/mol. Its IUPAC name is 4-(dipropylamino)butanethioamide.

Molecular Properties

Compound Name4-(dipropylamino)butanethioamide
PubChem CID24708110
Molecular FormulaC10H22N2S
Molecular Weight202.37 g/mol
Exact Mass202.15
IUPAC Name4-(dipropylamino)butanethioamide
SMILESCCCN(CCC)CCCC(N)=S
InChIInChI=1S/C10H22N2S/c1-3-7-12(8-4-2)9-5-6-10(11)13/h3-9H2,1-2H3,(H2,11,13)
InChIKeyARTYCXIXMDDGII-UHFFFAOYSA-N
XLogP2.17
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(dipropylamino)butanethioamide?
The IUPAC name of 4-(dipropylamino)butanethioamide (CID 24708110) is 4-(dipropylamino)butanethioamide.
What is the SMILES notation for 4-(dipropylamino)butanethioamide?
The canonical SMILES for 4-(dipropylamino)butanethioamide is CCCN(CCC)CCCC(N)=S.
What is the InChIKey of 4-(dipropylamino)butanethioamide?
The InChIKey is ARTYCXIXMDDGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2S/c1-3-7-12(8-4-2)9-5-6-10(11)13/h3-9H2,1-2H3,(H2,11,13).
What are the key properties of 4-(dipropylamino)butanethioamide?
4-(dipropylamino)butanethioamide has a molecular weight of 202.37 g/mol, XLogP of 2.17, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dipropylamino)butanethioamide is sourced from PubChem (CID 24708110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).