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

C10H18N2S — CID 115662451

IUPACN-cyclopropyl-3,3-dimethylpyrrolidine-1-carbothioamide
SMILESCC1(C)CCN(C(=S)NC2CC2)C1
InChIInChI=1S/C10H18N2S/c1-10(2)5-6-12(7-10)9(13)11-8-3-4-8/h8H,3-7H2,1-2H3,(H,11,13)
InChIKeyXAQVGJZWDYIGLX-UHFFFAOYSA-N
MW198.33 g/mol
LogP1.76
Rot. Bonds1

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

N-cyclopropyl-3,3-dimethylpyrrolidine-1-carbothioamide (PubChem CID 115662451) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is N-cyclopropyl-3,3-dimethylpyrrolidine-1-carbothioamide.

Molecular Properties

Compound NameN-cyclopropyl-3,3-dimethylpyrrolidine-1-carbothioamide
PubChem CID115662451
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC NameN-cyclopropyl-3,3-dimethylpyrrolidine-1-carbothioamide
SMILESCC1(C)CCN(C(=S)NC2CC2)C1
InChIInChI=1S/C10H18N2S/c1-10(2)5-6-12(7-10)9(13)11-8-3-4-8/h8H,3-7H2,1-2H3,(H,11,13)
InChIKeyXAQVGJZWDYIGLX-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
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-4,4-dimethylpiperidine-1-carbothioamide
CID 115605781
N-cyclopropyl-2,2-dimethylmorpholine-4-carbothioamide
CID 115580686
N-cyclopentyl-3,3,4-trimethylpiperazine-1-carbothioamide
CID 116508623
N-cyclopropylazocane-1-carbothioamide
CID 115570256
(3R,5S)-N-cyclopropyl-3,5-dimethylpiperidine-1-carbothioamide
CID 51529104
3,3-dimethyl-N-phenylpyrrolidine-1-carbothioamide
CID 115662460
N-cyclopropyl-4-propan-2-ylpiperazine-1-carbothioamide
CID 115579026
N-[4-(4,4-dimethylpiperidine-1-carbonyl)cyclohexyl]-2,2,2-trifluoroacetamide
CID 139606156
1-(cyclopropylcarbamoyl)-4-methylpiperidine-4-carboxylic acid
CID 63123468
N-cyclopropyl-3-methoxypyrrolidine-1-carbothioamide
CID 103532015
ethane;methyl 3,3-dimethylpyrrolidine-1-carboxylate
CID 144942251
ethyl 1-(cyclopropylcarbamothioyl)piperidine-4-carboxylate
CID 2033229

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3,3-dimethylpyrrolidine-1-carbothioamide?
The IUPAC name of N-cyclopropyl-3,3-dimethylpyrrolidine-1-carbothioamide (CID 115662451) is N-cyclopropyl-3,3-dimethylpyrrolidine-1-carbothioamide.
What is the SMILES notation for N-cyclopropyl-3,3-dimethylpyrrolidine-1-carbothioamide?
The canonical SMILES for N-cyclopropyl-3,3-dimethylpyrrolidine-1-carbothioamide is CC1(C)CCN(C(=S)NC2CC2)C1.
What is the InChIKey of N-cyclopropyl-3,3-dimethylpyrrolidine-1-carbothioamide?
The InChIKey is XAQVGJZWDYIGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-10(2)5-6-12(7-10)9(13)11-8-3-4-8/h8H,3-7H2,1-2H3,(H,11,13).
What are the key properties of N-cyclopropyl-3,3-dimethylpyrrolidine-1-carbothioamide?
N-cyclopropyl-3,3-dimethylpyrrolidine-1-carbothioamide has a molecular weight of 198.33 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3,3-dimethylpyrrolidine-1-carbothioamide is sourced from PubChem (CID 115662451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).