1-(1-tert-butylazetidin-3-yl)sulfonyl-4-propan-2-ylpiperidine

C15H30N2O2S — CID 146388898

IUPAC1-(1-tert-butylazetidin-3-yl)sulfonyl-4-propan-2-ylpiperidine
SMILESCC(C)C1CCN(S(=O)(=O)C2CN(C(C)(C)C)C2)CC1
InChIInChI=1S/C15H30N2O2S/c1-12(2)13-6-8-17(9-7-13)20(18,19)14-10-16(11-14)15(3,4)5/h12-14H,6-11H2,1-5H3
InChIKeyZATZDUVBACFARH-UHFFFAOYSA-N
MW302.48 g/mol
LogP2.17
Rot. Bonds3

About 1-(1-tert-butylazetidin-3-yl)sulfonyl-4-propan-2-ylpiperidine

1-(1-tert-butylazetidin-3-yl)sulfonyl-4-propan-2-ylpiperidine (PubChem CID 146388898) has the molecular formula C15H30N2O2S and a molecular weight of 302.48 g/mol. Its IUPAC name is 1-(1-tert-butylazetidin-3-yl)sulfonyl-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name1-(1-tert-butylazetidin-3-yl)sulfonyl-4-propan-2-ylpiperidine
PubChem CID146388898
Molecular FormulaC15H30N2O2S
Molecular Weight302.48 g/mol
Exact Mass302.20
IUPAC Name1-(1-tert-butylazetidin-3-yl)sulfonyl-4-propan-2-ylpiperidine
SMILESCC(C)C1CCN(S(=O)(=O)C2CN(C(C)(C)C)C2)CC1
InChIInChI=1S/C15H30N2O2S/c1-12(2)13-6-8-17(9-7-13)20(18,19)14-10-16(11-14)15(3,4)5/h12-14H,6-11H2,1-5H3
InChIKeyZATZDUVBACFARH-UHFFFAOYSA-N
XLogP2.17
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.48
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butylazetidin-3-yl)sulfonyl-4-propan-2-ylpiperidine?
The IUPAC name of 1-(1-tert-butylazetidin-3-yl)sulfonyl-4-propan-2-ylpiperidine (CID 146388898) is 1-(1-tert-butylazetidin-3-yl)sulfonyl-4-propan-2-ylpiperidine.
What is the SMILES notation for 1-(1-tert-butylazetidin-3-yl)sulfonyl-4-propan-2-ylpiperidine?
The canonical SMILES for 1-(1-tert-butylazetidin-3-yl)sulfonyl-4-propan-2-ylpiperidine is CC(C)C1CCN(S(=O)(=O)C2CN(C(C)(C)C)C2)CC1.
What is the InChIKey of 1-(1-tert-butylazetidin-3-yl)sulfonyl-4-propan-2-ylpiperidine?
The InChIKey is ZATZDUVBACFARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2S/c1-12(2)13-6-8-17(9-7-13)20(18,19)14-10-16(11-14)15(3,4)5/h12-14H,6-11H2,1-5H3.
What are the key properties of 1-(1-tert-butylazetidin-3-yl)sulfonyl-4-propan-2-ylpiperidine?
1-(1-tert-butylazetidin-3-yl)sulfonyl-4-propan-2-ylpiperidine has a molecular weight of 302.48 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butylazetidin-3-yl)sulfonyl-4-propan-2-ylpiperidine is sourced from PubChem (CID 146388898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).