1-propan-2-yl-3-(1-pyrrolidin-1-ylpropan-2-yl)thiourea

C11H23N3S — CID 115590193

IUPAC1-propan-2-yl-3-(1-pyrrolidin-1-ylpropan-2-yl)thiourea
SMILESCC(C)NC(=S)NC(C)CN1CCCC1
InChIInChI=1S/C11H23N3S/c1-9(2)12-11(15)13-10(3)8-14-6-4-5-7-14/h9-10H,4-8H2,1-3H3,(H2,12,13,15)
InChIKeyUAWBEMOGWKBTMO-UHFFFAOYSA-N
MW229.39 g/mol
LogP1.34
Rot. Bonds4

About 1-propan-2-yl-3-(1-pyrrolidin-1-ylpropan-2-yl)thiourea

1-propan-2-yl-3-(1-pyrrolidin-1-ylpropan-2-yl)thiourea (PubChem CID 115590193) has the molecular formula C11H23N3S and a molecular weight of 229.39 g/mol. Its IUPAC name is 1-propan-2-yl-3-(1-pyrrolidin-1-ylpropan-2-yl)thiourea.

Molecular Properties

Compound Name1-propan-2-yl-3-(1-pyrrolidin-1-ylpropan-2-yl)thiourea
PubChem CID115590193
Molecular FormulaC11H23N3S
Molecular Weight229.39 g/mol
Exact Mass229.16
IUPAC Name1-propan-2-yl-3-(1-pyrrolidin-1-ylpropan-2-yl)thiourea
SMILESCC(C)NC(=S)NC(C)CN1CCCC1
InChIInChI=1S/C11H23N3S/c1-9(2)12-11(15)13-10(3)8-14-6-4-5-7-14/h9-10H,4-8H2,1-3H3,(H2,12,13,15)
InChIKeyUAWBEMOGWKBTMO-UHFFFAOYSA-N
XLogP1.34
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 51.34
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-(2-methylpropyl)-3-(1-piperidin-1-ylpropan-2-yl)thiourea
CID 115583318
1-butyl-3-(1-piperidin-1-ylpropan-2-yl)thiourea
CID 113224004
N-(1-pyrrolidin-1-ylpropan-2-yl)acetamide
CID 61217024
N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-1-carboxamide
CID 115590525
2-(methylamino)-N-(1-piperidin-1-ylpropan-2-yl)acetamide
CID 43695360
4-hydroxy-N-(1-pyrrolidin-1-ylpropan-2-yl)pentanamide
CID 79192946
N-(1-piperidin-1-ylpropan-2-yl)azepane-1-carboxamide
CID 115583840
N-(1-piperidin-1-ylpropan-2-yl)piperidine-1-carboxamide
CID 115579823
1-(1-fluoropropan-2-yl)-3-propan-2-ylthiourea
CID 131067285
2-[2-oxo-2-(1-pyrrolidin-1-ylpropan-2-ylamino)ethyl]sulfanylacetic acid
CID 104569748
3-amino-N-(1-piperidin-1-ylpropan-2-yl)butanamide;dihydrochloride
CID 119851496
N-(1-pyrrolidin-1-ylpropan-2-yl)prop-2-enamide
CID 61473845

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-(1-pyrrolidin-1-ylpropan-2-yl)thiourea?
The IUPAC name of 1-propan-2-yl-3-(1-pyrrolidin-1-ylpropan-2-yl)thiourea (CID 115590193) is 1-propan-2-yl-3-(1-pyrrolidin-1-ylpropan-2-yl)thiourea.
What is the SMILES notation for 1-propan-2-yl-3-(1-pyrrolidin-1-ylpropan-2-yl)thiourea?
The canonical SMILES for 1-propan-2-yl-3-(1-pyrrolidin-1-ylpropan-2-yl)thiourea is CC(C)NC(=S)NC(C)CN1CCCC1.
What is the InChIKey of 1-propan-2-yl-3-(1-pyrrolidin-1-ylpropan-2-yl)thiourea?
The InChIKey is UAWBEMOGWKBTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3S/c1-9(2)12-11(15)13-10(3)8-14-6-4-5-7-14/h9-10H,4-8H2,1-3H3,(H2,12,13,15).
What are the key properties of 1-propan-2-yl-3-(1-pyrrolidin-1-ylpropan-2-yl)thiourea?
1-propan-2-yl-3-(1-pyrrolidin-1-ylpropan-2-yl)thiourea has a molecular weight of 229.39 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(1-pyrrolidin-1-ylpropan-2-yl)thiourea is sourced from PubChem (CID 115590193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).