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

C12H22N2O2S — CID 60857481

IUPACN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1,1-dioxothiolan-3-amine
SMILESO=S1(=O)CCC(NCC2CCN(C3CC3)C2)C1
InChIInChI=1S/C12H22N2O2S/c15-17(16)6-4-11(9-17)13-7-10-3-5-14(8-10)12-1-2-12/h10-13H,1-9H2
InChIKeyDPLQAFFYCDKBTK-UHFFFAOYSA-N
MW258.39 g/mol
LogP0.25
Rot. Bonds4

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

N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1,1-dioxothiolan-3-amine (PubChem CID 60857481) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1,1-dioxothiolan-3-amine
PubChem CID60857481
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC NameN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1,1-dioxothiolan-3-amine
SMILESO=S1(=O)CCC(NCC2CCN(C3CC3)C2)C1
InChIInChI=1S/C12H22N2O2S/c15-17(16)6-4-11(9-17)13-7-10-3-5-14(8-10)12-1-2-12/h10-13H,1-9H2
InChIKeyDPLQAFFYCDKBTK-UHFFFAOYSA-N
XLogP0.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1,1-dioxothiolan-3-amine?
The IUPAC name of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1,1-dioxothiolan-3-amine (CID 60857481) is N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1,1-dioxothiolan-3-amine is O=S1(=O)CCC(NCC2CCN(C3CC3)C2)C1.
What is the InChIKey of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1,1-dioxothiolan-3-amine?
The InChIKey is DPLQAFFYCDKBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S/c15-17(16)6-4-11(9-17)13-7-10-3-5-14(8-10)12-1-2-12/h10-13H,1-9H2.
What are the key properties of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1,1-dioxothiolan-3-amine?
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1,1-dioxothiolan-3-amine has a molecular weight of 258.39 g/mol, XLogP of 0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 60857481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).