ethane;1-ethylsulfonyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine

C16H35N3O2S — CID 171638858

IUPACethane;1-ethylsulfonyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine
SMILESCC.CCS(=O)(=O)N1CCN(C2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C14H29N3O2S.C2H6/c1-4-20(18,19)17-11-9-16(10-12-17)14-5-7-15(8-6-14)13(2)3;1-2/h13-14H,4-12H2,1-3H3;1-2H3
InChIKeyWFTKUVYRDJIVRI-UHFFFAOYSA-N
MW333.54 g/mol
LogP1.85
Rot. Bonds4

About ethane;1-ethylsulfonyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine

ethane;1-ethylsulfonyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine (PubChem CID 171638858) has the molecular formula C16H35N3O2S and a molecular weight of 333.54 g/mol. Its IUPAC name is ethane;1-ethylsulfonyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine.

Molecular Properties

Compound Nameethane;1-ethylsulfonyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine
PubChem CID171638858
Molecular FormulaC16H35N3O2S
Molecular Weight333.54 g/mol
Exact Mass333.24
IUPAC Nameethane;1-ethylsulfonyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine
SMILESCC.CCS(=O)(=O)N1CCN(C2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C14H29N3O2S.C2H6/c1-4-20(18,19)17-11-9-16(10-12-17)14-5-7-15(8-6-14)13(2)3;1-2/h13-14H,4-12H2,1-3H3;1-2H3
InChIKeyWFTKUVYRDJIVRI-UHFFFAOYSA-N
XLogP1.85
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.54
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;1-ethylsulfonyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine?
The IUPAC name of ethane;1-ethylsulfonyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine (CID 171638858) is ethane;1-ethylsulfonyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine.
What is the SMILES notation for ethane;1-ethylsulfonyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine?
The canonical SMILES for ethane;1-ethylsulfonyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine is CC.CCS(=O)(=O)N1CCN(C2CCN(C(C)C)CC2)CC1.
What is the InChIKey of ethane;1-ethylsulfonyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine?
The InChIKey is WFTKUVYRDJIVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2S.C2H6/c1-4-20(18,19)17-11-9-16(10-12-17)14-5-7-15(8-6-14)13(2)3;1-2/h13-14H,4-12H2,1-3H3;1-2H3.
What are the key properties of ethane;1-ethylsulfonyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine?
ethane;1-ethylsulfonyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine has a molecular weight of 333.54 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethylsulfonyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine is sourced from PubChem (CID 171638858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).