[(1-cyclopropyl-5-methylpyrrolidin-3-ylidene)amino]thiourea

C9H16N4S — CID 104866758

IUPAC[(1-cyclopropyl-5-methylpyrrolidin-3-ylidene)amino]thiourea
SMILESCC1CC(=NNC(N)=S)CN1C1CC1
InChIInChI=1S/C9H16N4S/c1-6-4-7(11-12-9(10)14)5-13(6)8-2-3-8/h6,8H,2-5H2,1H3,(H3,10,12,14)
InChIKeyPGXURKXTGUXHJI-UHFFFAOYSA-N
MW212.32 g/mol
LogP0.43
Rot. Bonds2

About [(1-cyclopropyl-5-methylpyrrolidin-3-ylidene)amino]thiourea

[(1-cyclopropyl-5-methylpyrrolidin-3-ylidene)amino]thiourea (PubChem CID 104866758) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is [(1-cyclopropyl-5-methylpyrrolidin-3-ylidene)amino]thiourea.

Molecular Properties

Compound Name[(1-cyclopropyl-5-methylpyrrolidin-3-ylidene)amino]thiourea
PubChem CID104866758
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC Name[(1-cyclopropyl-5-methylpyrrolidin-3-ylidene)amino]thiourea
SMILESCC1CC(=NNC(N)=S)CN1C1CC1
InChIInChI=1S/C9H16N4S/c1-6-4-7(11-12-9(10)14)5-13(6)8-2-3-8/h6,8H,2-5H2,1H3,(H3,10,12,14)
InChIKeyPGXURKXTGUXHJI-UHFFFAOYSA-N
XLogP0.43
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

[(3,5-dimethylcyclohexylidene)amino]thiourea
CID 65212363
[[(3R)-3-methylcyclohexylidene]amino]thiourea
CID 124838605
[(4-propan-2-ylcyclohexylidene)amino]thiourea
CID 65212366
[(3-methoxycyclohexylidene)amino]thiourea
CID 106874576
[(Z)-[(2S,5R)-1,2,5-trimethylpiperidin-4-ylidene]amino]thiourea
CID 7427347
[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]amino]urea
CID 779400
(cyclopentylideneamino)thiourea
CID 690102
(cyclobutylideneamino)thiourea
CID 5091999
[(5-methyl-2-propan-2-ylidenecyclohexylidene)amino]thiourea
CID 3003803
[[3-(2-methylpropyl)cyclohexylidene]amino]thiourea
CID 107430497
[(3-methyl-2-oxocyclopentylidene)amino]thiourea
CID 71350983
(thian-4-ylideneamino)thiourea
CID 4536557

Frequently Asked Questions

What is the IUPAC name of [(1-cyclopropyl-5-methylpyrrolidin-3-ylidene)amino]thiourea?
The IUPAC name of [(1-cyclopropyl-5-methylpyrrolidin-3-ylidene)amino]thiourea (CID 104866758) is [(1-cyclopropyl-5-methylpyrrolidin-3-ylidene)amino]thiourea.
What is the SMILES notation for [(1-cyclopropyl-5-methylpyrrolidin-3-ylidene)amino]thiourea?
The canonical SMILES for [(1-cyclopropyl-5-methylpyrrolidin-3-ylidene)amino]thiourea is CC1CC(=NNC(N)=S)CN1C1CC1.
What is the InChIKey of [(1-cyclopropyl-5-methylpyrrolidin-3-ylidene)amino]thiourea?
The InChIKey is PGXURKXTGUXHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c1-6-4-7(11-12-9(10)14)5-13(6)8-2-3-8/h6,8H,2-5H2,1H3,(H3,10,12,14).
What are the key properties of [(1-cyclopropyl-5-methylpyrrolidin-3-ylidene)amino]thiourea?
[(1-cyclopropyl-5-methylpyrrolidin-3-ylidene)amino]thiourea has a molecular weight of 212.32 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1-cyclopropyl-5-methylpyrrolidin-3-ylidene)amino]thiourea is sourced from PubChem (CID 104866758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).