[6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-1,3-benzothiazol-2-yl]hydrazine

C13H18N4O2S2 — CID 99966649

IUPAC[6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-1,3-benzothiazol-2-yl]hydrazine
SMILESC[C@@H]1CCCCN1S(=O)(=O)c1ccc2nc(NN)sc2c1
InChIInChI=1S/C13H18N4O2S2/c1-9-4-2-3-7-17(9)21(18,19)10-5-6-11-12(8-10)20-13(15-11)16-14/h5-6,8-9H,2-4,7,14H2,1H3,(H,15,16)/t9-/m1/s1
InChIKeyUHTGNPYFWYUKIS-SECBINFHSA-N
MW326.45 g/mol
LogP2.14
Rot. Bonds3

About [6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-1,3-benzothiazol-2-yl]hydrazine

[6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-1,3-benzothiazol-2-yl]hydrazine (PubChem CID 99966649) has the molecular formula C13H18N4O2S2 and a molecular weight of 326.45 g/mol. Its IUPAC name is [6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-1,3-benzothiazol-2-yl]hydrazine.

Molecular Properties

Compound Name[6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-1,3-benzothiazol-2-yl]hydrazine
PubChem CID99966649
Molecular FormulaC13H18N4O2S2
Molecular Weight326.45 g/mol
Exact Mass326.09
IUPAC Name[6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-1,3-benzothiazol-2-yl]hydrazine
SMILESC[C@@H]1CCCCN1S(=O)(=O)c1ccc2nc(NN)sc2c1
InChIInChI=1S/C13H18N4O2S2/c1-9-4-2-3-7-17(9)21(18,19)10-5-6-11-12(8-10)20-13(15-11)16-14/h5-6,8-9H,2-4,7,14H2,1H3,(H,15,16)/t9-/m1/s1
InChIKeyUHTGNPYFWYUKIS-SECBINFHSA-N
XLogP2.14
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[6-[(2R)-2-methylpiperidin-1-yl]-1,3-benzothiazol-2-yl]hydrazine
CID 94671928
N-(1,3-benzothiazol-2-yl)-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 40616224
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 43937170
3-[1-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]piperidin-2-yl]propan-1-amine
CID 166291121
6-(2-methylpyrrolidin-1-yl)sulfonylquinolin-2-amine
CID 62162789
2-methyl-1-naphthalen-2-ylsulfonylpiperidine
CID 3745150
2-(azepan-1-yl)-6-[(2S)-2-methylpiperidin-1-yl]sulfonylquinoline
CID 92864402
6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-2-piperidin-1-ylquinoline
CID 92887045
2-(azepan-1-yl)-6-(2-methylpiperidin-1-yl)sulfonylquinoline
CID 46283450
cis-(1R,2S)-2-methyl-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide
CID 52500457
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 23795595
1-(3,4-difluorophenyl)sulfonyl-2-methylpiperidine
CID 3701058

Frequently Asked Questions

What is the IUPAC name of [6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-1,3-benzothiazol-2-yl]hydrazine?
The IUPAC name of [6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-1,3-benzothiazol-2-yl]hydrazine (CID 99966649) is [6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-1,3-benzothiazol-2-yl]hydrazine.
What is the SMILES notation for [6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-1,3-benzothiazol-2-yl]hydrazine?
The canonical SMILES for [6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-1,3-benzothiazol-2-yl]hydrazine is C[C@@H]1CCCCN1S(=O)(=O)c1ccc2nc(NN)sc2c1.
What is the InChIKey of [6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-1,3-benzothiazol-2-yl]hydrazine?
The InChIKey is UHTGNPYFWYUKIS-SECBINFHSA-N. The full InChI is InChI=1S/C13H18N4O2S2/c1-9-4-2-3-7-17(9)21(18,19)10-5-6-11-12(8-10)20-13(15-11)16-14/h5-6,8-9H,2-4,7,14H2,1H3,(H,15,16)/t9-/m1/s1.
What are the key properties of [6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-1,3-benzothiazol-2-yl]hydrazine?
[6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-1,3-benzothiazol-2-yl]hydrazine has a molecular weight of 326.45 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-1,3-benzothiazol-2-yl]hydrazine is sourced from PubChem (CID 99966649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).