ethane;(3-propan-2-ylazetidin-1-yl)-(6-pyrrolidin-1-ylsulfinyl-2-pyridinyl)methanone

C18H29N3O2S — CID 177348894

IUPACethane;(3-propan-2-ylazetidin-1-yl)-(6-pyrrolidin-1-ylsulfinyl-2-pyridinyl)methanone
SMILESCC.CC(C)C1CN(C(=O)c2cccc(S(=O)N3CCCC3)n2)C1
InChIInChI=1S/C16H23N3O2S.C2H6/c1-12(2)13-10-18(11-13)16(20)14-6-5-7-15(17-14)22(21)19-8-3-4-9-19;1-2/h5-7,12-13H,3-4,8-11H2,1-2H3;1-2H3
InChIKeyOBYRLZGUHWPVKD-UHFFFAOYSA-N
MW351.52 g/mol
LogP2.95
Rot. Bonds4

About ethane;(3-propan-2-ylazetidin-1-yl)-(6-pyrrolidin-1-ylsulfinyl-2-pyridinyl)methanone

ethane;(3-propan-2-ylazetidin-1-yl)-(6-pyrrolidin-1-ylsulfinyl-2-pyridinyl)methanone (PubChem CID 177348894) has the molecular formula C18H29N3O2S and a molecular weight of 351.52 g/mol. Its IUPAC name is ethane;(3-propan-2-ylazetidin-1-yl)-(6-pyrrolidin-1-ylsulfinyl-2-pyridinyl)methanone.

Molecular Properties

Compound Nameethane;(3-propan-2-ylazetidin-1-yl)-(6-pyrrolidin-1-ylsulfinyl-2-pyridinyl)methanone
PubChem CID177348894
Molecular FormulaC18H29N3O2S
Molecular Weight351.52 g/mol
Exact Mass351.20
IUPAC Nameethane;(3-propan-2-ylazetidin-1-yl)-(6-pyrrolidin-1-ylsulfinyl-2-pyridinyl)methanone
SMILESCC.CC(C)C1CN(C(=O)c2cccc(S(=O)N3CCCC3)n2)C1
InChIInChI=1S/C16H23N3O2S.C2H6/c1-12(2)13-10-18(11-13)16(20)14-6-5-7-15(17-14)22(21)19-8-3-4-9-19;1-2/h5-7,12-13H,3-4,8-11H2,1-2H3;1-2H3
InChIKeyOBYRLZGUHWPVKD-UHFFFAOYSA-N
XLogP2.95
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.52
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethane;(3-propan-2-ylazetidin-1-yl)-(6-pyrrolidin-1-ylsulfinyl-2-pyridinyl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;(3-propan-2-ylazetidin-1-yl)-(6-pyrrolidin-1-ylsulfinyl-2-pyridinyl)methanone?
The IUPAC name of ethane;(3-propan-2-ylazetidin-1-yl)-(6-pyrrolidin-1-ylsulfinyl-2-pyridinyl)methanone (CID 177348894) is ethane;(3-propan-2-ylazetidin-1-yl)-(6-pyrrolidin-1-ylsulfinyl-2-pyridinyl)methanone.
What is the SMILES notation for ethane;(3-propan-2-ylazetidin-1-yl)-(6-pyrrolidin-1-ylsulfinyl-2-pyridinyl)methanone?
The canonical SMILES for ethane;(3-propan-2-ylazetidin-1-yl)-(6-pyrrolidin-1-ylsulfinyl-2-pyridinyl)methanone is CC.CC(C)C1CN(C(=O)c2cccc(S(=O)N3CCCC3)n2)C1.
What is the InChIKey of ethane;(3-propan-2-ylazetidin-1-yl)-(6-pyrrolidin-1-ylsulfinyl-2-pyridinyl)methanone?
The InChIKey is OBYRLZGUHWPVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S.C2H6/c1-12(2)13-10-18(11-13)16(20)14-6-5-7-15(17-14)22(21)19-8-3-4-9-19;1-2/h5-7,12-13H,3-4,8-11H2,1-2H3;1-2H3.
What are the key properties of ethane;(3-propan-2-ylazetidin-1-yl)-(6-pyrrolidin-1-ylsulfinyl-2-pyridinyl)methanone?
ethane;(3-propan-2-ylazetidin-1-yl)-(6-pyrrolidin-1-ylsulfinyl-2-pyridinyl)methanone has a molecular weight of 351.52 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3-propan-2-ylazetidin-1-yl)-(6-pyrrolidin-1-ylsulfinyl-2-pyridinyl)methanone is sourced from PubChem (CID 177348894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).