2-[4-(2-methylpropyl)piperidin-1-yl]-1,3-thiazole-5-sulfonamide

C12H21N3O2S2 — CID 133363012

IUPAC2-[4-(2-methylpropyl)piperidin-1-yl]-1,3-thiazole-5-sulfonamide
SMILESCC(C)CC1CCN(c2ncc(S(N)(=O)=O)s2)CC1
InChIInChI=1S/C12H21N3O2S2/c1-9(2)7-10-3-5-15(6-4-10)12-14-8-11(18-12)19(13,16)17/h8-10H,3-7H2,1-2H3,(H2,13,16,17)
InChIKeyFJZIFDITOYEVRA-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.05
Rot. Bonds4

About 2-[4-(2-methylpropyl)piperidin-1-yl]-1,3-thiazole-5-sulfonamide

2-[4-(2-methylpropyl)piperidin-1-yl]-1,3-thiazole-5-sulfonamide (PubChem CID 133363012) has the molecular formula C12H21N3O2S2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 2-[4-(2-methylpropyl)piperidin-1-yl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-[4-(2-methylpropyl)piperidin-1-yl]-1,3-thiazole-5-sulfonamide
PubChem CID133363012
Molecular FormulaC12H21N3O2S2
Molecular Weight303.45 g/mol
Exact Mass303.11
IUPAC Name2-[4-(2-methylpropyl)piperidin-1-yl]-1,3-thiazole-5-sulfonamide
SMILESCC(C)CC1CCN(c2ncc(S(N)(=O)=O)s2)CC1
InChIInChI=1S/C12H21N3O2S2/c1-9(2)7-10-3-5-15(6-4-10)12-14-8-11(18-12)19(13,16)17/h8-10H,3-7H2,1-2H3,(H2,13,16,17)
InChIKeyFJZIFDITOYEVRA-UHFFFAOYSA-N
XLogP2.05
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-5-sulfonamide
CID 95288282
5-methyl-1-(5-sulfamoyl-1,3-thiazol-2-yl)piperidine-3-carboxylic acid
CID 122106742
2-ethyl-1,3-thiazole-5-sulfonamide
CID 86037919
2-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-1,3-thiazole-5-sulfonamide
CID 133355060
2-(4-propylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde
CID 62749950
methyl 4-(5-sulfamoyl-1,3-thiazol-2-yl)-1,4-thiazepane-6-carboxylate
CID 146092473
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-1,3-thiazole-5-carbaldehyde
CID 62750800
[1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanesulfonamide
CID 136514994
2-methyl-N-[[2-(4-propan-2-ylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 103503613
N-methyl-1-[2-(4-propylpiperidin-1-yl)-1,3-thiazol-5-yl]ethanamine
CID 62754570
4-(5-propan-2-ylsulfonyl-1,3-thiazol-2-yl)piperazine-1-carboxylic acid
CID 150534942
5-(2-methylpropyl)-2-[4-(2-methylpropyl)piperidin-1-yl]pyrimidine
CID 59474375

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpropyl)piperidin-1-yl]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-[4-(2-methylpropyl)piperidin-1-yl]-1,3-thiazole-5-sulfonamide (CID 133363012) is 2-[4-(2-methylpropyl)piperidin-1-yl]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-[4-(2-methylpropyl)piperidin-1-yl]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-[4-(2-methylpropyl)piperidin-1-yl]-1,3-thiazole-5-sulfonamide is CC(C)CC1CCN(c2ncc(S(N)(=O)=O)s2)CC1.
What is the InChIKey of 2-[4-(2-methylpropyl)piperidin-1-yl]-1,3-thiazole-5-sulfonamide?
The InChIKey is FJZIFDITOYEVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S2/c1-9(2)7-10-3-5-15(6-4-10)12-14-8-11(18-12)19(13,16)17/h8-10H,3-7H2,1-2H3,(H2,13,16,17).
What are the key properties of 2-[4-(2-methylpropyl)piperidin-1-yl]-1,3-thiazole-5-sulfonamide?
2-[4-(2-methylpropyl)piperidin-1-yl]-1,3-thiazole-5-sulfonamide has a molecular weight of 303.45 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropyl)piperidin-1-yl]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 133363012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).