N-[(1-methylpyrrolidin-3-yl)methyl]-1,1-dioxothiolan-3-amine

C10H20N2O2S — CID 60855255

IUPACN-[(1-methylpyrrolidin-3-yl)methyl]-1,1-dioxothiolan-3-amine
SMILESCN1CCC(CNC2CCS(=O)(=O)C2)C1
InChIInChI=1S/C10H20N2O2S/c1-12-4-2-9(7-12)6-11-10-3-5-15(13,14)8-10/h9-11H,2-8H2,1H3
InChIKeyHTPZIQRFAKVPRY-UHFFFAOYSA-N
MW232.35 g/mol
LogP-0.29
Rot. Bonds3

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

N-[(1-methylpyrrolidin-3-yl)methyl]-1,1-dioxothiolan-3-amine (PubChem CID 60855255) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is N-[(1-methylpyrrolidin-3-yl)methyl]-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-[(1-methylpyrrolidin-3-yl)methyl]-1,1-dioxothiolan-3-amine
PubChem CID60855255
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC NameN-[(1-methylpyrrolidin-3-yl)methyl]-1,1-dioxothiolan-3-amine
SMILESCN1CCC(CNC2CCS(=O)(=O)C2)C1
InChIInChI=1S/C10H20N2O2S/c1-12-4-2-9(7-12)6-11-10-3-5-15(13,14)8-10/h9-11H,2-8H2,1H3
InChIKeyHTPZIQRFAKVPRY-UHFFFAOYSA-N
XLogP-0.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrolidin-3-yl)methyl]-1,1-dioxothiolan-3-amine?
The IUPAC name of N-[(1-methylpyrrolidin-3-yl)methyl]-1,1-dioxothiolan-3-amine (CID 60855255) is N-[(1-methylpyrrolidin-3-yl)methyl]-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-[(1-methylpyrrolidin-3-yl)methyl]-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-[(1-methylpyrrolidin-3-yl)methyl]-1,1-dioxothiolan-3-amine is CN1CCC(CNC2CCS(=O)(=O)C2)C1.
What is the InChIKey of N-[(1-methylpyrrolidin-3-yl)methyl]-1,1-dioxothiolan-3-amine?
The InChIKey is HTPZIQRFAKVPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-12-4-2-9(7-12)6-11-10-3-5-15(13,14)8-10/h9-11H,2-8H2,1H3.
What are the key properties of N-[(1-methylpyrrolidin-3-yl)methyl]-1,1-dioxothiolan-3-amine?
N-[(1-methylpyrrolidin-3-yl)methyl]-1,1-dioxothiolan-3-amine has a molecular weight of 232.35 g/mol, XLogP of -0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrolidin-3-yl)methyl]-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 60855255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).