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

C23H35N5O2S2 — CID 59178918

IUPACN,N-dimethyl-5-[4-[1-(4-propan-2-ylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-1,2,4-thiadiazol-3-amine
SMILESCC(C)S(=O)(=O)c1ccc(N2CCC(C3CCN(c4nc(N(C)C)ns4)CC3)CC2)cc1
InChIInChI=1S/C23H35N5O2S2/c1-17(2)32(29,30)21-7-5-20(6-8-21)27-13-9-18(10-14-27)19-11-15-28(16-12-19)23-24-22(25-31-23)26(3)4/h5-8,17-19H,9-16H2,1-4H3
InChIKeyIAGLDXYYVPNADW-UHFFFAOYSA-N
MW477.70 g/mol
LogP3.92
Rot. Bonds6

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

N,N-dimethyl-5-[4-[1-(4-propan-2-ylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-1,2,4-thiadiazol-3-amine (PubChem CID 59178918) has the molecular formula C23H35N5O2S2 and a molecular weight of 477.70 g/mol. Its IUPAC name is N,N-dimethyl-5-[4-[1-(4-propan-2-ylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[4-[1-(4-propan-2-ylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-1,2,4-thiadiazol-3-amine
PubChem CID59178918
Molecular FormulaC23H35N5O2S2
Molecular Weight477.70 g/mol
Exact Mass477.22
IUPAC NameN,N-dimethyl-5-[4-[1-(4-propan-2-ylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-1,2,4-thiadiazol-3-amine
SMILESCC(C)S(=O)(=O)c1ccc(N2CCC(C3CCN(c4nc(N(C)C)ns4)CC3)CC2)cc1
InChIInChI=1S/C23H35N5O2S2/c1-17(2)32(29,30)21-7-5-20(6-8-21)27-13-9-18(10-14-27)19-11-15-28(16-12-19)23-24-22(25-31-23)26(3)4/h5-8,17-19H,9-16H2,1-4H3
InChIKeyIAGLDXYYVPNADW-UHFFFAOYSA-N
XLogP3.92
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.70
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[4-[1-(4-propan-2-ylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-1,2,4-thiadiazol-3-amine?
The IUPAC name of N,N-dimethyl-5-[4-[1-(4-propan-2-ylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-1,2,4-thiadiazol-3-amine (CID 59178918) is N,N-dimethyl-5-[4-[1-(4-propan-2-ylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for N,N-dimethyl-5-[4-[1-(4-propan-2-ylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-1,2,4-thiadiazol-3-amine?
The canonical SMILES for N,N-dimethyl-5-[4-[1-(4-propan-2-ylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-1,2,4-thiadiazol-3-amine is CC(C)S(=O)(=O)c1ccc(N2CCC(C3CCN(c4nc(N(C)C)ns4)CC3)CC2)cc1.
What is the InChIKey of N,N-dimethyl-5-[4-[1-(4-propan-2-ylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-1,2,4-thiadiazol-3-amine?
The InChIKey is IAGLDXYYVPNADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N5O2S2/c1-17(2)32(29,30)21-7-5-20(6-8-21)27-13-9-18(10-14-27)19-11-15-28(16-12-19)23-24-22(25-31-23)26(3)4/h5-8,17-19H,9-16H2,1-4H3.
What are the key properties of N,N-dimethyl-5-[4-[1-(4-propan-2-ylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-1,2,4-thiadiazol-3-amine?
N,N-dimethyl-5-[4-[1-(4-propan-2-ylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-1,2,4-thiadiazol-3-amine has a molecular weight of 477.70 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[4-[1-(4-propan-2-ylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 59178918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).