N-(1,1-dioxothian-4-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

C12H22N2O2S — CID 43752465

IUPACN-(1,1-dioxothian-4-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESO=S1(=O)CCC(NC2CCN3CCCC23)CC1
InChIInChI=1S/C12H22N2O2S/c15-17(16)8-4-10(5-9-17)13-11-3-7-14-6-1-2-12(11)14/h10-13H,1-9H2
InChIKeyUDGAHVPEOIGUOE-UHFFFAOYSA-N
MW258.39 g/mol
LogP0.39
Rot. Bonds2

About N-(1,1-dioxothian-4-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

N-(1,1-dioxothian-4-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (PubChem CID 43752465) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is N-(1,1-dioxothian-4-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.

Molecular Properties

Compound NameN-(1,1-dioxothian-4-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
PubChem CID43752465
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC NameN-(1,1-dioxothian-4-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESO=S1(=O)CCC(NC2CCN3CCCC23)CC1
InChIInChI=1S/C12H22N2O2S/c15-17(16)8-4-10(5-9-17)13-11-3-7-14-6-1-2-12(11)14/h10-13H,1-9H2
InChIKeyUDGAHVPEOIGUOE-UHFFFAOYSA-N
XLogP0.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-4-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The IUPAC name of N-(1,1-dioxothian-4-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (CID 43752465) is N-(1,1-dioxothian-4-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.
What is the SMILES notation for N-(1,1-dioxothian-4-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The canonical SMILES for N-(1,1-dioxothian-4-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is O=S1(=O)CCC(NC2CCN3CCCC23)CC1.
What is the InChIKey of N-(1,1-dioxothian-4-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The InChIKey is UDGAHVPEOIGUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S/c15-17(16)8-4-10(5-9-17)13-11-3-7-14-6-1-2-12(11)14/h10-13H,1-9H2.
What are the key properties of N-(1,1-dioxothian-4-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
N-(1,1-dioxothian-4-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine has a molecular weight of 258.39 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-4-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is sourced from PubChem (CID 43752465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).