N-(3,3-dimethylpiperidin-4-yl)-2-methyl-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]pyridine-3-sulfonamide

C24H37N5O3S2 — CID 158052002

IUPACN-(3,3-dimethylpiperidin-4-yl)-2-methyl-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]pyridine-3-sulfonamide
SMILESCc1ncc(-c2sc(NC(C)C3CCOCC3)nc2C)cc1S(=O)(=O)NC1CCNCC1(C)C
InChIInChI=1S/C24H37N5O3S2/c1-15(18-7-10-32-11-8-18)27-23-28-17(3)22(33-23)19-12-20(16(2)26-13-19)34(30,31)29-21-6-9-25-14-24(21,4)5/h12-13,15,18,21,25,29H,6-11,14H2,1-5H3,(H,27,28)
InChIKeyFJPCSZNLZILHBW-UHFFFAOYSA-N
MW507.73 g/mol
LogP3.72
Rot. Bonds7

About N-(3,3-dimethylpiperidin-4-yl)-2-methyl-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]pyridine-3-sulfonamide

N-(3,3-dimethylpiperidin-4-yl)-2-methyl-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]pyridine-3-sulfonamide (PubChem CID 158052002) has the molecular formula C24H37N5O3S2 and a molecular weight of 507.73 g/mol. Its IUPAC name is N-(3,3-dimethylpiperidin-4-yl)-2-methyl-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3,3-dimethylpiperidin-4-yl)-2-methyl-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]pyridine-3-sulfonamide
PubChem CID158052002
Molecular FormulaC24H37N5O3S2
Molecular Weight507.73 g/mol
Exact Mass507.23
IUPAC NameN-(3,3-dimethylpiperidin-4-yl)-2-methyl-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]pyridine-3-sulfonamide
SMILESCc1ncc(-c2sc(NC(C)C3CCOCC3)nc2C)cc1S(=O)(=O)NC1CCNCC1(C)C
InChIInChI=1S/C24H37N5O3S2/c1-15(18-7-10-32-11-8-18)27-23-28-17(3)22(33-23)19-12-20(16(2)26-13-19)34(30,31)29-21-6-9-25-14-24(21,4)5/h12-13,15,18,21,25,29H,6-11,14H2,1-5H3,(H,27,28)
InChIKeyFJPCSZNLZILHBW-UHFFFAOYSA-N
XLogP3.72
TPSA105.24 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.73
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylpiperidin-4-yl)-2-methyl-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]pyridine-3-sulfonamide?
The IUPAC name of N-(3,3-dimethylpiperidin-4-yl)-2-methyl-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]pyridine-3-sulfonamide (CID 158052002) is N-(3,3-dimethylpiperidin-4-yl)-2-methyl-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]pyridine-3-sulfonamide.
What is the SMILES notation for N-(3,3-dimethylpiperidin-4-yl)-2-methyl-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]pyridine-3-sulfonamide?
The canonical SMILES for N-(3,3-dimethylpiperidin-4-yl)-2-methyl-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]pyridine-3-sulfonamide is Cc1ncc(-c2sc(NC(C)C3CCOCC3)nc2C)cc1S(=O)(=O)NC1CCNCC1(C)C.
What is the InChIKey of N-(3,3-dimethylpiperidin-4-yl)-2-methyl-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]pyridine-3-sulfonamide?
The InChIKey is FJPCSZNLZILHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N5O3S2/c1-15(18-7-10-32-11-8-18)27-23-28-17(3)22(33-23)19-12-20(16(2)26-13-19)34(30,31)29-21-6-9-25-14-24(21,4)5/h12-13,15,18,21,25,29H,6-11,14H2,1-5H3,(H,27,28).
What are the key properties of N-(3,3-dimethylpiperidin-4-yl)-2-methyl-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]pyridine-3-sulfonamide?
N-(3,3-dimethylpiperidin-4-yl)-2-methyl-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]pyridine-3-sulfonamide has a molecular weight of 507.73 g/mol, XLogP of 3.72, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylpiperidin-4-yl)-2-methyl-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 158052002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).