N-cyclopropyl-2,3-dimethylpyrrolidine-1-carbothioamide

C10H18N2S — CID 130634932

IUPACN-cyclopropyl-2,3-dimethylpyrrolidine-1-carbothioamide
SMILESCC1CCN(C(=S)NC2CC2)C1C
InChIInChI=1S/C10H18N2S/c1-7-5-6-12(8(7)2)10(13)11-9-3-4-9/h7-9H,3-6H2,1-2H3,(H,11,13)
InChIKeyZTVHBDDMYDYZMU-UHFFFAOYSA-N
MW198.33 g/mol
LogP1.75
Rot. Bonds1

About N-cyclopropyl-2,3-dimethylpyrrolidine-1-carbothioamide

N-cyclopropyl-2,3-dimethylpyrrolidine-1-carbothioamide (PubChem CID 130634932) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is N-cyclopropyl-2,3-dimethylpyrrolidine-1-carbothioamide.

Molecular Properties

Compound NameN-cyclopropyl-2,3-dimethylpyrrolidine-1-carbothioamide
PubChem CID130634932
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC NameN-cyclopropyl-2,3-dimethylpyrrolidine-1-carbothioamide
SMILESCC1CCN(C(=S)NC2CC2)C1C
InChIInChI=1S/C10H18N2S/c1-7-5-6-12(8(7)2)10(13)11-9-3-4-9/h7-9H,3-6H2,1-2H3,(H,11,13)
InChIKeyZTVHBDDMYDYZMU-UHFFFAOYSA-N
XLogP1.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-2-methylpiperidine-1-carbothioamide
CID 19653964
2,3-dimethyl-N-propan-2-ylpiperidine-1-carbothioamide
CID 115646992
(3R,5S)-N-cyclopropyl-3,5-dimethylpiperidine-1-carbothioamide
CID 51529104
N-cyclopropyl-4,4-dimethylpiperidine-1-carbothioamide
CID 115605781
cyclobutyl-(2,3-dimethylpyrrolidin-1-yl)methanone
CID 130944377
N-cyclopropylazocane-1-carbothioamide
CID 115570256
(2S)-1-(cyclopropylcarbamothioyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 92534826
N-cyclopropyl-4-propan-2-ylpiperazine-1-carbothioamide
CID 115579026
N-cyclohexyl-2-ethylpyrrolidine-1-carbothioamide
CID 115608532
N-cyclohexyl-2-ethylazepane-1-carbothioamide
CID 113441869
N-cyclohexyl-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide
CID 116509404
(3R)-N-cyclopentyl-3-methylpiperidine-1-carbothioamide
CID 947302

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2,3-dimethylpyrrolidine-1-carbothioamide?
The IUPAC name of N-cyclopropyl-2,3-dimethylpyrrolidine-1-carbothioamide (CID 130634932) is N-cyclopropyl-2,3-dimethylpyrrolidine-1-carbothioamide.
What is the SMILES notation for N-cyclopropyl-2,3-dimethylpyrrolidine-1-carbothioamide?
The canonical SMILES for N-cyclopropyl-2,3-dimethylpyrrolidine-1-carbothioamide is CC1CCN(C(=S)NC2CC2)C1C.
What is the InChIKey of N-cyclopropyl-2,3-dimethylpyrrolidine-1-carbothioamide?
The InChIKey is ZTVHBDDMYDYZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-7-5-6-12(8(7)2)10(13)11-9-3-4-9/h7-9H,3-6H2,1-2H3,(H,11,13).
What are the key properties of N-cyclopropyl-2,3-dimethylpyrrolidine-1-carbothioamide?
N-cyclopropyl-2,3-dimethylpyrrolidine-1-carbothioamide has a molecular weight of 198.33 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2,3-dimethylpyrrolidine-1-carbothioamide is sourced from PubChem (CID 130634932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).