1,3-bis[3-(dimethylamino)propyl]thiourea

C11H26N4S — CID 3037325

IUPAC1,3-bis[3-(dimethylamino)propyl]thiourea
SMILESCN(C)CCCNC(=S)NCCCN(C)C
InChIInChI=1S/C11H26N4S/c1-14(2)9-5-7-12-11(16)13-8-6-10-15(3)4/h5-10H2,1-4H3,(H2,12,13,16)
InChIKeyYLMXNQPOOVZIHK-UHFFFAOYSA-N
MW246.42 g/mol
LogP0.35
Rot. Bonds8

About 1,3-bis[3-(dimethylamino)propyl]thiourea

1,3-bis[3-(dimethylamino)propyl]thiourea (PubChem CID 3037325) has the molecular formula C11H26N4S and a molecular weight of 246.42 g/mol. Its IUPAC name is 1,3-bis[3-(dimethylamino)propyl]thiourea.

Molecular Properties

Compound Name1,3-bis[3-(dimethylamino)propyl]thiourea
PubChem CID3037325
Molecular FormulaC11H26N4S
Molecular Weight246.42 g/mol
Exact Mass246.19
IUPAC Name1,3-bis[3-(dimethylamino)propyl]thiourea
SMILESCN(C)CCCNC(=S)NCCCN(C)C
InChIInChI=1S/C11H26N4S/c1-14(2)9-5-7-12-11(16)13-8-6-10-15(3)4/h5-10H2,1-4H3,(H2,12,13,16)
InChIKeyYLMXNQPOOVZIHK-UHFFFAOYSA-N
XLogP0.35
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis[3-(dimethylamino)propyl]thiourea?
The IUPAC name of 1,3-bis[3-(dimethylamino)propyl]thiourea (CID 3037325) is 1,3-bis[3-(dimethylamino)propyl]thiourea.
What is the SMILES notation for 1,3-bis[3-(dimethylamino)propyl]thiourea?
The canonical SMILES for 1,3-bis[3-(dimethylamino)propyl]thiourea is CN(C)CCCNC(=S)NCCCN(C)C.
What is the InChIKey of 1,3-bis[3-(dimethylamino)propyl]thiourea?
The InChIKey is YLMXNQPOOVZIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N4S/c1-14(2)9-5-7-12-11(16)13-8-6-10-15(3)4/h5-10H2,1-4H3,(H2,12,13,16).
What are the key properties of 1,3-bis[3-(dimethylamino)propyl]thiourea?
1,3-bis[3-(dimethylamino)propyl]thiourea has a molecular weight of 246.42 g/mol, XLogP of 0.35, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[3-(dimethylamino)propyl]thiourea is sourced from PubChem (CID 3037325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).