3-(2,2-dimethylpyrrolidin-1-yl)-2-methylpropanethioamide

C10H20N2S — CID 63219445

IUPAC3-(2,2-dimethylpyrrolidin-1-yl)-2-methylpropanethioamide
SMILESCC(CN1CCCC1(C)C)C(N)=S
InChIInChI=1S/C10H20N2S/c1-8(9(11)13)7-12-6-4-5-10(12,2)3/h8H,4-7H2,1-3H3,(H2,11,13)
InChIKeyYNIMWSCUQLHABC-UHFFFAOYSA-N
MW200.35 g/mol
LogP1.78
Rot. Bonds3

About 3-(2,2-dimethylpyrrolidin-1-yl)-2-methylpropanethioamide

3-(2,2-dimethylpyrrolidin-1-yl)-2-methylpropanethioamide (PubChem CID 63219445) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is 3-(2,2-dimethylpyrrolidin-1-yl)-2-methylpropanethioamide.

Molecular Properties

Compound Name3-(2,2-dimethylpyrrolidin-1-yl)-2-methylpropanethioamide
PubChem CID63219445
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC Name3-(2,2-dimethylpyrrolidin-1-yl)-2-methylpropanethioamide
SMILESCC(CN1CCCC1(C)C)C(N)=S
InChIInChI=1S/C10H20N2S/c1-8(9(11)13)7-12-6-4-5-10(12,2)3/h8H,4-7H2,1-3H3,(H2,11,13)
InChIKeyYNIMWSCUQLHABC-UHFFFAOYSA-N
XLogP1.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpyrrolidin-1-yl)-2-methylpropanethioamide?
The IUPAC name of 3-(2,2-dimethylpyrrolidin-1-yl)-2-methylpropanethioamide (CID 63219445) is 3-(2,2-dimethylpyrrolidin-1-yl)-2-methylpropanethioamide.
What is the SMILES notation for 3-(2,2-dimethylpyrrolidin-1-yl)-2-methylpropanethioamide?
The canonical SMILES for 3-(2,2-dimethylpyrrolidin-1-yl)-2-methylpropanethioamide is CC(CN1CCCC1(C)C)C(N)=S.
What is the InChIKey of 3-(2,2-dimethylpyrrolidin-1-yl)-2-methylpropanethioamide?
The InChIKey is YNIMWSCUQLHABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S/c1-8(9(11)13)7-12-6-4-5-10(12,2)3/h8H,4-7H2,1-3H3,(H2,11,13).
What are the key properties of 3-(2,2-dimethylpyrrolidin-1-yl)-2-methylpropanethioamide?
3-(2,2-dimethylpyrrolidin-1-yl)-2-methylpropanethioamide has a molecular weight of 200.35 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpyrrolidin-1-yl)-2-methylpropanethioamide is sourced from PubChem (CID 63219445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).