1-[3-(dimethylamino)propyl]-3-(dimethylcarbamothioyl)-1-methylthiourea

C10H22N4S2 — CID 88822093

IUPAC1-[3-(dimethylamino)propyl]-3-(dimethylcarbamothioyl)-1-methylthiourea
SMILESCN(C)CCCN(C)C(=S)NC(=S)N(C)C
InChIInChI=1S/C10H22N4S2/c1-12(2)7-6-8-14(5)10(16)11-9(15)13(3)4/h6-8H2,1-5H3,(H,11,15,16)
InChIKeyVDUMNDYOILQFSR-UHFFFAOYSA-N
MW262.45 g/mol
LogP0.59
Rot. Bonds4

About 1-[3-(dimethylamino)propyl]-3-(dimethylcarbamothioyl)-1-methylthiourea

1-[3-(dimethylamino)propyl]-3-(dimethylcarbamothioyl)-1-methylthiourea (PubChem CID 88822093) has the molecular formula C10H22N4S2 and a molecular weight of 262.45 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-3-(dimethylcarbamothioyl)-1-methylthiourea.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-3-(dimethylcarbamothioyl)-1-methylthiourea
PubChem CID88822093
Molecular FormulaC10H22N4S2
Molecular Weight262.45 g/mol
Exact Mass262.13
IUPAC Name1-[3-(dimethylamino)propyl]-3-(dimethylcarbamothioyl)-1-methylthiourea
SMILESCN(C)CCCN(C)C(=S)NC(=S)N(C)C
InChIInChI=1S/C10H22N4S2/c1-12(2)7-6-8-14(5)10(16)11-9(15)13(3)4/h6-8H2,1-5H3,(H,11,15,16)
InChIKeyVDUMNDYOILQFSR-UHFFFAOYSA-N
XLogP0.59
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.45
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-[3-(dimethylamino)propyl]-3-(dimethylcarbamothioyl)-1-methylthiourea?
The IUPAC name of 1-[3-(dimethylamino)propyl]-3-(dimethylcarbamothioyl)-1-methylthiourea (CID 88822093) is 1-[3-(dimethylamino)propyl]-3-(dimethylcarbamothioyl)-1-methylthiourea.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-3-(dimethylcarbamothioyl)-1-methylthiourea?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-3-(dimethylcarbamothioyl)-1-methylthiourea is CN(C)CCCN(C)C(=S)NC(=S)N(C)C.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-3-(dimethylcarbamothioyl)-1-methylthiourea?
The InChIKey is VDUMNDYOILQFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4S2/c1-12(2)7-6-8-14(5)10(16)11-9(15)13(3)4/h6-8H2,1-5H3,(H,11,15,16).
What are the key properties of 1-[3-(dimethylamino)propyl]-3-(dimethylcarbamothioyl)-1-methylthiourea?
1-[3-(dimethylamino)propyl]-3-(dimethylcarbamothioyl)-1-methylthiourea has a molecular weight of 262.45 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-3-(dimethylcarbamothioyl)-1-methylthiourea is sourced from PubChem (CID 88822093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).