1,3-dimethyl-1-[4-[methyl(methylcarbamothioyl)amino]butyl]thiourea

C10H22N4S2 — CID 5162306

IUPAC1,3-dimethyl-1-[4-[methyl(methylcarbamothioyl)amino]butyl]thiourea
SMILESCNC(=S)N(C)CCCCN(C)C(=S)NC
InChIInChI=1S/C10H22N4S2/c1-11-9(15)13(3)7-5-6-8-14(4)10(16)12-2/h5-8H2,1-4H3,(H,11,15)(H,12,16)
InChIKeyNTDBEWVEBFSVFQ-UHFFFAOYSA-N
MW262.45 g/mol
LogP0.64
Rot. Bonds5

About 1,3-dimethyl-1-[4-[methyl(methylcarbamothioyl)amino]butyl]thiourea

1,3-dimethyl-1-[4-[methyl(methylcarbamothioyl)amino]butyl]thiourea (PubChem CID 5162306) has the molecular formula C10H22N4S2 and a molecular weight of 262.45 g/mol. Its IUPAC name is 1,3-dimethyl-1-[4-[methyl(methylcarbamothioyl)amino]butyl]thiourea.

Molecular Properties

Compound Name1,3-dimethyl-1-[4-[methyl(methylcarbamothioyl)amino]butyl]thiourea
PubChem CID5162306
Molecular FormulaC10H22N4S2
Molecular Weight262.45 g/mol
Exact Mass262.13
IUPAC Name1,3-dimethyl-1-[4-[methyl(methylcarbamothioyl)amino]butyl]thiourea
SMILESCNC(=S)N(C)CCCCN(C)C(=S)NC
InChIInChI=1S/C10H22N4S2/c1-11-9(15)13(3)7-5-6-8-14(4)10(16)12-2/h5-8H2,1-4H3,(H,11,15)(H,12,16)
InChIKeyNTDBEWVEBFSVFQ-UHFFFAOYSA-N
XLogP0.64
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.45
LogP ≤ 50.64
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'}

Analyze 1,3-dimethyl-1-[4-[methyl(methylcarbamothioyl)amino]butyl]thiourea 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

N,N'-Dibutylthiourea
CID 2723622
Butylethylthiourea
CID 3032901
Tributylthiourea
CID 3032425
Biuret, 1-butyl-2,4-dithio-
CID 3033770
Urea, 1,3-bis(3-(dimethylamino)propyl)-2-thio-
CID 3037325
5-[3-(Dimethylamino)propyl]-1,3,5-triazinane-2-thione
CID 741677
3-Butyl-1,1-diethylthiourea
CID 10352470
4-(Dimethylamino)butylthiourea
CID 11990557
1,1-Diethyl-3-propylthiourea
CID 19652944
3-Methyl-1,1-dipropylthiourea
CID 11332770
3-Butyl-1,1-dimethylthiourea
CID 15352371
1,1-Dibutyl-3-methylthiourea
CID 15415262

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-1-[4-[methyl(methylcarbamothioyl)amino]butyl]thiourea?
The IUPAC name of 1,3-dimethyl-1-[4-[methyl(methylcarbamothioyl)amino]butyl]thiourea (CID 5162306) is 1,3-dimethyl-1-[4-[methyl(methylcarbamothioyl)amino]butyl]thiourea.
What is the SMILES notation for 1,3-dimethyl-1-[4-[methyl(methylcarbamothioyl)amino]butyl]thiourea?
The canonical SMILES for 1,3-dimethyl-1-[4-[methyl(methylcarbamothioyl)amino]butyl]thiourea is CNC(=S)N(C)CCCCN(C)C(=S)NC.
What is the InChIKey of 1,3-dimethyl-1-[4-[methyl(methylcarbamothioyl)amino]butyl]thiourea?
The InChIKey is NTDBEWVEBFSVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4S2/c1-11-9(15)13(3)7-5-6-8-14(4)10(16)12-2/h5-8H2,1-4H3,(H,11,15)(H,12,16).
What are the key properties of 1,3-dimethyl-1-[4-[methyl(methylcarbamothioyl)amino]butyl]thiourea?
1,3-dimethyl-1-[4-[methyl(methylcarbamothioyl)amino]butyl]thiourea has a molecular weight of 262.45 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-1-[4-[methyl(methylcarbamothioyl)amino]butyl]thiourea is sourced from PubChem (CID 5162306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).