1-(2-methylpropyl)-3-(1-piperidin-1-ylpropan-2-yl)thiourea

C13H27N3S — CID 115583318

IUPAC1-(2-methylpropyl)-3-(1-piperidin-1-ylpropan-2-yl)thiourea
SMILESCC(C)CNC(=S)NC(C)CN1CCCCC1
InChIInChI=1S/C13H27N3S/c1-11(2)9-14-13(17)15-12(3)10-16-7-5-4-6-8-16/h11-12H,4-10H2,1-3H3,(H2,14,15,17)
InChIKeyLUJCAUUIXQQSOT-UHFFFAOYSA-N
MW257.45 g/mol
LogP1.98
Rot. Bonds5

About 1-(2-methylpropyl)-3-(1-piperidin-1-ylpropan-2-yl)thiourea

1-(2-methylpropyl)-3-(1-piperidin-1-ylpropan-2-yl)thiourea (PubChem CID 115583318) has the molecular formula C13H27N3S and a molecular weight of 257.45 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-(1-piperidin-1-ylpropan-2-yl)thiourea.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-(1-piperidin-1-ylpropan-2-yl)thiourea
PubChem CID115583318
Molecular FormulaC13H27N3S
Molecular Weight257.45 g/mol
Exact Mass257.19
IUPAC Name1-(2-methylpropyl)-3-(1-piperidin-1-ylpropan-2-yl)thiourea
SMILESCC(C)CNC(=S)NC(C)CN1CCCCC1
InChIInChI=1S/C13H27N3S/c1-11(2)9-14-13(17)15-12(3)10-16-7-5-4-6-8-16/h11-12H,4-10H2,1-3H3,(H2,14,15,17)
InChIKeyLUJCAUUIXQQSOT-UHFFFAOYSA-N
XLogP1.98
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.45
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-propan-2-yl-3-(1-pyrrolidin-1-ylpropan-2-yl)thiourea
CID 115590193
1-butyl-3-(1-piperidin-1-ylpropan-2-yl)thiourea
CID 113224004
2-(methylamino)-N-(1-piperidin-1-ylpropan-2-yl)acetamide
CID 43695360
1-cyclohexyl-3-(1-morpholin-4-ylpropan-2-yl)thiourea
CID 115583267
N-(1-pyrrolidin-1-ylpropan-2-yl)acetamide
CID 61217024
N-(1-piperidin-1-ylpropan-2-yl)piperidine-1-carboxamide
CID 115579823
N-(1-piperidin-1-ylpropan-2-yl)azepane-1-carboxamide
CID 115583840
2-amino-N-[2-oxo-2-(1-piperidin-1-ylpropan-2-ylamino)ethyl]acetamide
CID 60848128
1-(1-imidazol-1-ylpropan-2-yl)-3-(2-methylpropyl)thiourea
CID 115583371
1-ethyl-3-(1-pyrrolidin-1-ylpropan-2-yl)urea
CID 115590502
3-amino-N-(1-piperidin-1-ylpropan-2-yl)butanamide;dihydrochloride
CID 119851496
2-(1-piperidin-1-ylpropan-2-ylcarbamoylamino)acetic acid
CID 61499964

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3-(1-piperidin-1-ylpropan-2-yl)thiourea?
The IUPAC name of 1-(2-methylpropyl)-3-(1-piperidin-1-ylpropan-2-yl)thiourea (CID 115583318) is 1-(2-methylpropyl)-3-(1-piperidin-1-ylpropan-2-yl)thiourea.
What is the SMILES notation for 1-(2-methylpropyl)-3-(1-piperidin-1-ylpropan-2-yl)thiourea?
The canonical SMILES for 1-(2-methylpropyl)-3-(1-piperidin-1-ylpropan-2-yl)thiourea is CC(C)CNC(=S)NC(C)CN1CCCCC1.
What is the InChIKey of 1-(2-methylpropyl)-3-(1-piperidin-1-ylpropan-2-yl)thiourea?
The InChIKey is LUJCAUUIXQQSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3S/c1-11(2)9-14-13(17)15-12(3)10-16-7-5-4-6-8-16/h11-12H,4-10H2,1-3H3,(H2,14,15,17).
What are the key properties of 1-(2-methylpropyl)-3-(1-piperidin-1-ylpropan-2-yl)thiourea?
1-(2-methylpropyl)-3-(1-piperidin-1-ylpropan-2-yl)thiourea has a molecular weight of 257.45 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-(1-piperidin-1-ylpropan-2-yl)thiourea is sourced from PubChem (CID 115583318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).