4-(3-methylpyrrolidin-1-yl)-1,1-dioxothiolan-3-amine

C9H18N2O2S — CID 62691466

IUPAC4-(3-methylpyrrolidin-1-yl)-1,1-dioxothiolan-3-amine
SMILESCC1CCN(C2CS(=O)(=O)CC2N)C1
InChIInChI=1S/C9H18N2O2S/c1-7-2-3-11(4-7)9-6-14(12,13)5-8(9)10/h7-9H,2-6,10H2,1H3
InChIKeyPSEQBRFSZUFIJU-UHFFFAOYSA-N
MW218.32 g/mol
LogP-0.55
Rot. Bonds1

About 4-(3-methylpyrrolidin-1-yl)-1,1-dioxothiolan-3-amine

4-(3-methylpyrrolidin-1-yl)-1,1-dioxothiolan-3-amine (PubChem CID 62691466) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 4-(3-methylpyrrolidin-1-yl)-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound Name4-(3-methylpyrrolidin-1-yl)-1,1-dioxothiolan-3-amine
PubChem CID62691466
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name4-(3-methylpyrrolidin-1-yl)-1,1-dioxothiolan-3-amine
SMILESCC1CCN(C2CS(=O)(=O)CC2N)C1
InChIInChI=1S/C9H18N2O2S/c1-7-2-3-11(4-7)9-6-14(12,13)5-8(9)10/h7-9H,2-6,10H2,1H3
InChIKeyPSEQBRFSZUFIJU-UHFFFAOYSA-N
XLogP-0.55
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methylazepan-1-yl)-1,1-dioxothiolan-3-amine
CID 63624640
4-(3-methylpyrrolidin-1-yl)-1,1-dioxothiolan-3-ol
CID 61224263
4-(3-methoxy-4-methylpiperidin-1-yl)-1,1-dioxothiolan-3-amine
CID 102965731
1-(4-amino-1,1-dioxothiolan-3-yl)-N,N-dimethylpiperidin-4-amine
CID 55108617
4-(2-methylmorpholin-4-yl)-1,1-dioxothiolan-3-amine
CID 62691462
(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-amine
CID 7012261
1-(4-amino-1,1-dioxothiolan-3-yl)piperidine-3-carboxamide
CID 55108616
1,1-dioxo-4-[3-(trifluoromethyl)piperidin-1-yl]thiolan-3-amine
CID 62692740
1,1-dioxo-4-thiomorpholin-4-ylthiolan-3-amine
CID 62048962
1,1-dioxo-4-(1,4-thiazepan-4-yl)thiolan-3-amine
CID 62694304
1-cyclopropyl-3-methylpyrrolidine;ethane
CID 176992470
[2-(3-methylpyrrolidin-1-yl)cyclopropyl]methanol
CID 130643194

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpyrrolidin-1-yl)-1,1-dioxothiolan-3-amine?
The IUPAC name of 4-(3-methylpyrrolidin-1-yl)-1,1-dioxothiolan-3-amine (CID 62691466) is 4-(3-methylpyrrolidin-1-yl)-1,1-dioxothiolan-3-amine.
What is the SMILES notation for 4-(3-methylpyrrolidin-1-yl)-1,1-dioxothiolan-3-amine?
The canonical SMILES for 4-(3-methylpyrrolidin-1-yl)-1,1-dioxothiolan-3-amine is CC1CCN(C2CS(=O)(=O)CC2N)C1.
What is the InChIKey of 4-(3-methylpyrrolidin-1-yl)-1,1-dioxothiolan-3-amine?
The InChIKey is PSEQBRFSZUFIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-7-2-3-11(4-7)9-6-14(12,13)5-8(9)10/h7-9H,2-6,10H2,1H3.
What are the key properties of 4-(3-methylpyrrolidin-1-yl)-1,1-dioxothiolan-3-amine?
4-(3-methylpyrrolidin-1-yl)-1,1-dioxothiolan-3-amine has a molecular weight of 218.32 g/mol, XLogP of -0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpyrrolidin-1-yl)-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 62691466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).