1-cyclopropyl-3-[(1-ethylpyrrolidin-3-yl)methyl]thiourea

C11H21N3S — CID 115583628

IUPAC1-cyclopropyl-3-[(1-ethylpyrrolidin-3-yl)methyl]thiourea
SMILESCCN1CCC(CNC(=S)NC2CC2)C1
InChIInChI=1S/C11H21N3S/c1-2-14-6-5-9(8-14)7-12-11(15)13-10-3-4-10/h9-10H,2-8H2,1H3,(H2,12,13,15)
InChIKeyQELFZMUMFKSQRA-UHFFFAOYSA-N
MW227.38 g/mol
LogP0.95
Rot. Bonds4

About 1-cyclopropyl-3-[(1-ethylpyrrolidin-3-yl)methyl]thiourea

1-cyclopropyl-3-[(1-ethylpyrrolidin-3-yl)methyl]thiourea (PubChem CID 115583628) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(1-ethylpyrrolidin-3-yl)methyl]thiourea.

Molecular Properties

Compound Name1-cyclopropyl-3-[(1-ethylpyrrolidin-3-yl)methyl]thiourea
PubChem CID115583628
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC Name1-cyclopropyl-3-[(1-ethylpyrrolidin-3-yl)methyl]thiourea
SMILESCCN1CCC(CNC(=S)NC2CC2)C1
InChIInChI=1S/C11H21N3S/c1-2-14-6-5-9(8-14)7-12-11(15)13-10-3-4-10/h9-10H,2-8H2,1H3,(H2,12,13,15)
InChIKeyQELFZMUMFKSQRA-UHFFFAOYSA-N
XLogP0.95
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 50.95
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-cyclopentyl-3-[(1-ethylpyrrolidin-3-yl)methyl]-2-methylguanidine;hydroiodide
CID 110991728
bis(N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide);methane
CID 162144356
N'-(2-amino-2-sulfanylideneethyl)-N-[(1-ethylpyrrolidin-3-yl)methyl]oxamide
CID 60857032
1-(1-ethylpiperidin-4-yl)-3-(2-methylpropyl)thiourea
CID 17264003
1-(cyclopropylmethyl)-3-[(1-ethylpyrrolidin-3-yl)methyl]-2-methylguanidine
CID 111867320
4-N-[(1-ethylpyrrolidin-3-yl)methyl]cyclohexane-1,4-diamine
CID 79731283
2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-methylbutanamide
CID 79797123
1-benzyl-3-(1-ethylpiperidin-4-yl)thiourea
CID 9095149
(2S)-2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]hexanamide
CID 113304850
tert-butyl N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]carbamate
CID 70878490
2-amino-2-ethyl-N-[(1-ethylpyrrolidin-3-yl)methyl]butanamide
CID 79809539
3-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-2,2-dimethylpropanamide
CID 63680576

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(1-ethylpyrrolidin-3-yl)methyl]thiourea?
The IUPAC name of 1-cyclopropyl-3-[(1-ethylpyrrolidin-3-yl)methyl]thiourea (CID 115583628) is 1-cyclopropyl-3-[(1-ethylpyrrolidin-3-yl)methyl]thiourea.
What is the SMILES notation for 1-cyclopropyl-3-[(1-ethylpyrrolidin-3-yl)methyl]thiourea?
The canonical SMILES for 1-cyclopropyl-3-[(1-ethylpyrrolidin-3-yl)methyl]thiourea is CCN1CCC(CNC(=S)NC2CC2)C1.
What is the InChIKey of 1-cyclopropyl-3-[(1-ethylpyrrolidin-3-yl)methyl]thiourea?
The InChIKey is QELFZMUMFKSQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-2-14-6-5-9(8-14)7-12-11(15)13-10-3-4-10/h9-10H,2-8H2,1H3,(H2,12,13,15).
What are the key properties of 1-cyclopropyl-3-[(1-ethylpyrrolidin-3-yl)methyl]thiourea?
1-cyclopropyl-3-[(1-ethylpyrrolidin-3-yl)methyl]thiourea has a molecular weight of 227.38 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(1-ethylpyrrolidin-3-yl)methyl]thiourea is sourced from PubChem (CID 115583628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).