1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-tert-butylpiperidine-4-carboxamide

C16H22N4O3S2 — CID 2328744

IUPAC1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-tert-butylpiperidine-4-carboxamide
SMILESCC(C)(C)NC(=O)C1CCN(S(=O)(=O)c2cccc3nsnc23)CC1
InChIInChI=1S/C16H22N4O3S2/c1-16(2,3)17-15(21)11-7-9-20(10-8-11)25(22,23)13-6-4-5-12-14(13)19-24-18-12/h4-6,11H,7-10H2,1-3H3,(H,17,21)
InChIKeyCHLYLFLZZSAGIM-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.01
Rot. Bonds3

About 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-tert-butylpiperidine-4-carboxamide

1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-tert-butylpiperidine-4-carboxamide (PubChem CID 2328744) has the molecular formula C16H22N4O3S2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-tert-butylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-tert-butylpiperidine-4-carboxamide
PubChem CID2328744
Molecular FormulaC16H22N4O3S2
Molecular Weight382.51 g/mol
Exact Mass382.11
IUPAC Name1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-tert-butylpiperidine-4-carboxamide
SMILESCC(C)(C)NC(=O)C1CCN(S(=O)(=O)c2cccc3nsnc23)CC1
InChIInChI=1S/C16H22N4O3S2/c1-16(2,3)17-15(21)11-7-9-20(10-8-11)25(22,23)13-6-4-5-12-14(13)19-24-18-12/h4-6,11H,7-10H2,1-3H3,(H,17,21)
InChIKeyCHLYLFLZZSAGIM-UHFFFAOYSA-N
XLogP2.01
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-tert-butylpiperidine-4-carboxamide?
The IUPAC name of 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-tert-butylpiperidine-4-carboxamide (CID 2328744) is 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-tert-butylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-tert-butylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-tert-butylpiperidine-4-carboxamide is CC(C)(C)NC(=O)C1CCN(S(=O)(=O)c2cccc3nsnc23)CC1.
What is the InChIKey of 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-tert-butylpiperidine-4-carboxamide?
The InChIKey is CHLYLFLZZSAGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S2/c1-16(2,3)17-15(21)11-7-9-20(10-8-11)25(22,23)13-6-4-5-12-14(13)19-24-18-12/h4-6,11H,7-10H2,1-3H3,(H,17,21).
What are the key properties of 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-tert-butylpiperidine-4-carboxamide?
1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-tert-butylpiperidine-4-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-tert-butylpiperidine-4-carboxamide is sourced from PubChem (CID 2328744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).