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

C9H18N2O2S — CID 58735690

IUPACN-(1,1-dioxothiolan-3-yl)-N-methylpyrrolidin-3-amine
SMILESCN(C1CCNC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C9H18N2O2S/c1-11(8-2-4-10-6-8)9-3-5-14(12,13)7-9/h8-10H,2-7H2,1H3
InChIKeyVHVMXNYUAPVVSU-UHFFFAOYSA-N
MW218.32 g/mol
LogP-0.53
Rot. Bonds2

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

N-(1,1-dioxothiolan-3-yl)-N-methylpyrrolidin-3-amine (PubChem CID 58735690) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-methylpyrrolidin-3-amine
PubChem CID58735690
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-methylpyrrolidin-3-amine
SMILESCN(C1CCNC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C9H18N2O2S/c1-11(8-2-4-10-6-8)9-3-5-14(12,13)7-9/h8-10H,2-7H2,1H3
InChIKeyVHVMXNYUAPVVSU-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

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methylpyrrolidin-3-amine?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methylpyrrolidin-3-amine (CID 58735690) is N-(1,1-dioxothiolan-3-yl)-N-methylpyrrolidin-3-amine.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-methylpyrrolidin-3-amine?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-methylpyrrolidin-3-amine is CN(C1CCNC1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-methylpyrrolidin-3-amine?
The InChIKey is VHVMXNYUAPVVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-11(8-2-4-10-6-8)9-3-5-14(12,13)7-9/h8-10H,2-7H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-methylpyrrolidin-3-amine?
N-(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 N-(1,1-dioxothiolan-3-yl)-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 58735690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).