N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine

C17H24N4O3S2 — CID 133425429

IUPACN-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCOc1ccc(Nc2nc(C(C)C)ns2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C17H24N4O3S2/c1-12(2)16-19-17(25-20-16)18-13-7-8-14(24-3)15(11-13)26(22,23)21-9-5-4-6-10-21/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,18,19,20)
InChIKeyODWDXNXCGKLCAQ-UHFFFAOYSA-N
MW396.54 g/mol
LogP3.59
Rot. Bonds6

About N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine

N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 133425429) has the molecular formula C17H24N4O3S2 and a molecular weight of 396.54 g/mol. Its IUPAC name is N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID133425429
Molecular FormulaC17H24N4O3S2
Molecular Weight396.54 g/mol
Exact Mass396.13
IUPAC NameN-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCOc1ccc(Nc2nc(C(C)C)ns2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C17H24N4O3S2/c1-12(2)16-19-17(25-20-16)18-13-7-8-14(24-3)15(11-13)26(22,23)21-9-5-4-6-10-21/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,18,19,20)
InChIKeyODWDXNXCGKLCAQ-UHFFFAOYSA-N
XLogP3.59
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1,3-benzothiazol-2-amine
CID 32678454
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CID 26174301
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 26851836
4-methoxy-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 7742149
4-amino-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pentanamide
CID 120558840
trans-(1R,2S)-N-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-propan-2-ylcyclopropane-1-carboxamide
CID 167767814
1-tert-butyl-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)urea
CID 4803267
2-amino-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-methylpentanamide
CID 119677476
1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine
CID 849991
1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine
CID 757936
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(methylamino)acetamide
CID 119677452
(E)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)but-2-enamide
CID 6212937

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine (CID 133425429) is N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine is COc1ccc(Nc2nc(C(C)C)ns2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is ODWDXNXCGKLCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S2/c1-12(2)16-19-17(25-20-16)18-13-7-8-14(24-3)15(11-13)26(22,23)21-9-5-4-6-10-21/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,18,19,20).
What are the key properties of N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 396.54 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133425429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).