1,3-dimethyl-1-piperidin-1-ylthiourea

C8H17N3S — CID 54259853

IUPAC1,3-dimethyl-1-piperidin-1-ylthiourea
SMILESCNC(=S)N(C)N1CCCCC1
InChIInChI=1S/C8H17N3S/c1-9-8(12)10(2)11-6-4-3-5-7-11/h3-7H2,1-2H3,(H,9,12)
InChIKeyRCSREFKWIKEEJE-UHFFFAOYSA-N
MW187.31 g/mol
LogP0.82
Rot. Bonds1

About 1,3-dimethyl-1-piperidin-1-ylthiourea

1,3-dimethyl-1-piperidin-1-ylthiourea (PubChem CID 54259853) has the molecular formula C8H17N3S and a molecular weight of 187.31 g/mol. Its IUPAC name is 1,3-dimethyl-1-piperidin-1-ylthiourea.

Molecular Properties

Compound Name1,3-dimethyl-1-piperidin-1-ylthiourea
PubChem CID54259853
Molecular FormulaC8H17N3S
Molecular Weight187.31 g/mol
Exact Mass187.11
IUPAC Name1,3-dimethyl-1-piperidin-1-ylthiourea
SMILESCNC(=S)N(C)N1CCCCC1
InChIInChI=1S/C8H17N3S/c1-9-8(12)10(2)11-6-4-3-5-7-11/h3-7H2,1-2H3,(H,9,12)
InChIKeyRCSREFKWIKEEJE-UHFFFAOYSA-N
XLogP0.82
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(methylcarbamothioyl)azetidine-1-carbothioamide
CID 157064215
1,3-dimethyl-1-(2,2,6,6-tetramethylpiperidin-1-yl)oxythiourea
CID 154084290
N-methyl-3-azaspiro[5.5]undecane-3-carbothioamide
CID 115605189
[dithiocarboxy(piperidin-1-yl)amino]-piperidin-1-ylcarbamodithioic acid
CID 87511868
1-amino-1-tert-butyl-3-methylthiourea
CID 22975155
N-methyl-N-piperidin-1-ylmethanethioamide
CID 88613393
1-[[1-(dimethylamino)cyclobutyl]methyl]-1,3-dimethylthiourea
CID 105413660
1,3-dimethyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]thiourea
CID 8561901
N,N-di(piperidin-1-yl)piperidin-1-amine
CID 54025169
2-[methyl(methylcarbamothioyl)amino]acetic acid
CID 14685968
N-methyl-N-piperidin-1-ylformamide
CID 12838505
4,4-difluoro-N-methylpiperidine-1-carbothioamide
CID 126990030

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-1-piperidin-1-ylthiourea?
The IUPAC name of 1,3-dimethyl-1-piperidin-1-ylthiourea (CID 54259853) is 1,3-dimethyl-1-piperidin-1-ylthiourea.
What is the SMILES notation for 1,3-dimethyl-1-piperidin-1-ylthiourea?
The canonical SMILES for 1,3-dimethyl-1-piperidin-1-ylthiourea is CNC(=S)N(C)N1CCCCC1.
What is the InChIKey of 1,3-dimethyl-1-piperidin-1-ylthiourea?
The InChIKey is RCSREFKWIKEEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3S/c1-9-8(12)10(2)11-6-4-3-5-7-11/h3-7H2,1-2H3,(H,9,12).
What are the key properties of 1,3-dimethyl-1-piperidin-1-ylthiourea?
1,3-dimethyl-1-piperidin-1-ylthiourea has a molecular weight of 187.31 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-1-piperidin-1-ylthiourea is sourced from PubChem (CID 54259853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).