1-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-5-methylpyrrolidin-3-amine

C12H22N2O2S — CID 115707651

IUPAC1-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-5-methylpyrrolidin-3-amine
SMILESCC1CC(NC2CCS(=O)(=O)C2)CN1C1CC1
InChIInChI=1S/C12H22N2O2S/c1-9-6-11(7-14(9)12-2-3-12)13-10-4-5-17(15,16)8-10/h9-13H,2-8H2,1H3
InChIKeyBAHQATYYDXKJIK-UHFFFAOYSA-N
MW258.39 g/mol
LogP0.39
Rot. Bonds3

About 1-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-5-methylpyrrolidin-3-amine

1-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-5-methylpyrrolidin-3-amine (PubChem CID 115707651) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 1-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-5-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-5-methylpyrrolidin-3-amine
PubChem CID115707651
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC Name1-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-5-methylpyrrolidin-3-amine
SMILESCC1CC(NC2CCS(=O)(=O)C2)CN1C1CC1
InChIInChI=1S/C12H22N2O2S/c1-9-6-11(7-14(9)12-2-3-12)13-10-4-5-17(15,16)8-10/h9-13H,2-8H2,1H3
InChIKeyBAHQATYYDXKJIK-UHFFFAOYSA-N
XLogP0.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-1,5-dimethylpyrrolidin-3-amine
CID 81300872
N-cyclopentyl-1-cyclopropyl-5-methylpyrrolidin-3-amine
CID 115685080
1-cyclopropyl-N-(1,1-dioxothiolan-3-yl)piperidin-4-amine
CID 63162610
(3R)-N-cyclopentyl-1,1-dioxothiolan-3-amine
CID 7129043
N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-1,3-dimethylpiperidin-4-amine
CID 115717633
1-cyclopropyl-5-methyl-N-(2-methylsulfinylethyl)pyrrolidin-3-amine
CID 115720797
N-(2,4-dimethylcyclohexyl)-1,1-dioxothiolan-3-amine
CID 63993922
1-(1,1-dioxothian-3-yl)-N,2-dimethylpiperidin-4-amine
CID 63923553
N-(2-methylcyclohexyl)-1,1-dioxothiolan-3-amine
CID 16784113
(3S,5S)-1-cyclopropyl-5-methylpyrrolidin-3-amine
CID 92786638
1-cyclopropyl-N-(2-ethylsulfonylethyl)-5-methylpyrrolidin-3-amine
CID 103780983
N-(1,1-dioxothiolan-3-yl)-1-(2-methylpropyl)piperidin-4-amine
CID 103718870

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-5-methylpyrrolidin-3-amine?
The IUPAC name of 1-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-5-methylpyrrolidin-3-amine (CID 115707651) is 1-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-5-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-5-methylpyrrolidin-3-amine?
The canonical SMILES for 1-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-5-methylpyrrolidin-3-amine is CC1CC(NC2CCS(=O)(=O)C2)CN1C1CC1.
What is the InChIKey of 1-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-5-methylpyrrolidin-3-amine?
The InChIKey is BAHQATYYDXKJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S/c1-9-6-11(7-14(9)12-2-3-12)13-10-4-5-17(15,16)8-10/h9-13H,2-8H2,1H3.
What are the key properties of 1-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-5-methylpyrrolidin-3-amine?
1-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-5-methylpyrrolidin-3-amine has a molecular weight of 258.39 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-5-methylpyrrolidin-3-amine is sourced from PubChem (CID 115707651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).