(3R)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-3-amine

C11H14N4O2S2 — CID 102977572

IUPAC(3R)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-3-amine
SMILESN[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1
InChIInChI=1S/C11H14N4O2S2/c12-8-3-2-6-15(7-8)19(16,17)10-5-1-4-9-11(10)14-18-13-9/h1,4-5,8H,2-3,6-7,12H2/t8-/m1/s1
InChIKeyWCMCLEJTEKTNTN-MRVPVSSYSA-N
MW298.39 g/mol
LogP0.80
Rot. Bonds2

About (3R)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-3-amine

(3R)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-3-amine (PubChem CID 102977572) has the molecular formula C11H14N4O2S2 and a molecular weight of 298.39 g/mol. Its IUPAC name is (3R)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-3-amine
PubChem CID102977572
Molecular FormulaC11H14N4O2S2
Molecular Weight298.39 g/mol
Exact Mass298.06
IUPAC Name(3R)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-3-amine
SMILESN[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1
InChIInChI=1S/C11H14N4O2S2/c12-8-3-2-6-15(7-8)19(16,17)10-5-1-4-9-11(10)14-18-13-9/h1,4-5,8H,2-3,6-7,12H2/t8-/m1/s1
InChIKeyWCMCLEJTEKTNTN-MRVPVSSYSA-N
XLogP0.80
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S,4S)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-3,4-diol
CID 56898413
1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-methylpyrrolidin-3-amine
CID 115300390
(3R)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 41087760
1-[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)pyrrolidin-3-yl]ethanamine
CID 103976004
1-[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 63263791
4-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonyl-2,1,3-benzothiadiazole
CID 46557640
4-[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]sulfonyl-2,1,3-benzothiadiazole
CID 45177143
4-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]sulfonyl-2,1,3-benzothiadiazole
CID 121197780
[(3S)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-3-yl]-[(3R,5R)-3,5-dimethylpiperidin-1-yl]methanone
CID 124771846
(3S)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2-hydroxyethyl)piperidine-3-carboxamide
CID 40917115
4-[4-[[(3S)-3-methylpiperidin-1-yl]methyl]piperidin-1-yl]sulfonyl-2,1,3-benzothiadiazole
CID 92501464
4-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-2,1,3-benzothiadiazole
CID 122267264

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-3-amine?
The IUPAC name of (3R)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-3-amine (CID 102977572) is (3R)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-3-amine.
What is the SMILES notation for (3R)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-3-amine?
The canonical SMILES for (3R)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-3-amine is N[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1.
What is the InChIKey of (3R)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-3-amine?
The InChIKey is WCMCLEJTEKTNTN-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14N4O2S2/c12-8-3-2-6-15(7-8)19(16,17)10-5-1-4-9-11(10)14-18-13-9/h1,4-5,8H,2-3,6-7,12H2/t8-/m1/s1.
What are the key properties of (3R)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-3-amine?
(3R)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-3-amine has a molecular weight of 298.39 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-3-amine is sourced from PubChem (CID 102977572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).