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

C9H18N2O2S — CID 43315217

IUPAC1-(1,1-dioxothiolan-3-yl)-N-methylpyrrolidin-3-amine
SMILESCNC1CCN(C2CCS(=O)(=O)C2)C1
InChIInChI=1S/C9H18N2O2S/c1-10-8-2-4-11(6-8)9-3-5-14(12,13)7-9/h8-10H,2-7H2,1H3
InChIKeyYGUJQIBUUVOHMU-UHFFFAOYSA-N
MW218.32 g/mol
LogP-0.53
Rot. Bonds2

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

1-(1,1-dioxothiolan-3-yl)-N-methylpyrrolidin-3-amine (PubChem CID 43315217) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-N-methylpyrrolidin-3-amine
PubChem CID43315217
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name1-(1,1-dioxothiolan-3-yl)-N-methylpyrrolidin-3-amine
SMILESCNC1CCN(C2CCS(=O)(=O)C2)C1
InChIInChI=1S/C9H18N2O2S/c1-10-8-2-4-11(6-8)9-3-5-14(12,13)7-9/h8-10H,2-7H2,1H3
InChIKeyYGUJQIBUUVOHMU-UHFFFAOYSA-N
XLogP-0.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1,1-dioxothiolan-3-yl)-N-methylpyrrolidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1,1-dioxothiolan-3-yl)-N-ethylpyrrolidin-3-amine
CID 43315216
1-(1,1-dioxothian-3-yl)-N,3-dimethylpiperidin-4-amine
CID 63922163
1-(1,1-dioxothiolan-3-yl)-N-propylpiperidin-4-amine
CID 43315218
1-cycloheptyl-N-methylpyrrolidin-3-amine
CID 43315596
1-cyclopropyl-N-(1,1-dioxothiolan-3-yl)piperidin-4-amine
CID 63162610
1-(1,1-dioxothiolan-3-yl)pyrrolidine-3-carboxamide
CID 117008143
1-[1-(1,1-dioxothiolan-3-yl)pyrrolidin-3-yl]piperidin-4-amine
CID 80552789
(3S)-1-(1,1-dioxothiolan-3-yl)piperidin-3-ol
CID 107226058
(3S)-1-[(3R)-1,1-dioxothiolan-3-yl]piperidin-3-amine
CID 39225830
1-(1,1-dioxothiolan-3-yl)piperidin-3-amine
CID 61297087
ethane;N-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-6-amine
CID 170747754
N-methyl-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-3-amine
CID 113281847

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-N-methylpyrrolidin-3-amine?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-N-methylpyrrolidin-3-amine (CID 43315217) is 1-(1,1-dioxothiolan-3-yl)-N-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-N-methylpyrrolidin-3-amine?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-N-methylpyrrolidin-3-amine is CNC1CCN(C2CCS(=O)(=O)C2)C1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-N-methylpyrrolidin-3-amine?
The InChIKey is YGUJQIBUUVOHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-10-8-2-4-11(6-8)9-3-5-14(12,13)7-9/h8-10H,2-7H2,1H3.
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-N-methylpyrrolidin-3-amine?
1-(1,1-dioxothiolan-3-yl)-N-methylpyrrolidin-3-amine has a molecular weight of 218.32 g/mol, XLogP of -0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 43315217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).