2-methyl-N-(3-piperidin-4-yloxypropyl)-1,3-thiazole-5-sulfonamide

C12H21N3O3S2 — CID 103415141

IUPAC2-methyl-N-(3-piperidin-4-yloxypropyl)-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NCCCOC2CCNCC2)s1
InChIInChI=1S/C12H21N3O3S2/c1-10-14-9-12(19-10)20(16,17)15-5-2-8-18-11-3-6-13-7-4-11/h9,11,13,15H,2-8H2,1H3
InChIKeyIQBFWNFNPWGMGP-UHFFFAOYSA-N
MW319.45 g/mol
LogP0.89
Rot. Bonds7

About 2-methyl-N-(3-piperidin-4-yloxypropyl)-1,3-thiazole-5-sulfonamide

2-methyl-N-(3-piperidin-4-yloxypropyl)-1,3-thiazole-5-sulfonamide (PubChem CID 103415141) has the molecular formula C12H21N3O3S2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 2-methyl-N-(3-piperidin-4-yloxypropyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(3-piperidin-4-yloxypropyl)-1,3-thiazole-5-sulfonamide
PubChem CID103415141
Molecular FormulaC12H21N3O3S2
Molecular Weight319.45 g/mol
Exact Mass319.10
IUPAC Name2-methyl-N-(3-piperidin-4-yloxypropyl)-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NCCCOC2CCNCC2)s1
InChIInChI=1S/C12H21N3O3S2/c1-10-14-9-12(19-10)20(16,17)15-5-2-8-18-11-3-6-13-7-4-11/h9,11,13,15H,2-8H2,1H3
InChIKeyIQBFWNFNPWGMGP-UHFFFAOYSA-N
XLogP0.89
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-aminocyclohexyl)oxypropyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 103415145
5-chloro-N-(3-piperidin-4-yloxypropyl)thiophene-2-sulfonamide
CID 63869653
3-methyl-N-(3-piperidin-4-yloxypropyl)benzenesulfonamide
CID 63870833
N-(2-hydroxyethyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103847901
2-methyl-N-piperidin-3-yl-1,3-thiazole-5-sulfonamide
CID 103951401
2-methyl-N-[(3S)-piperidin-3-yl]-1,3-thiazole-5-sulfonamide
CID 103415375
N-(3-piperidin-4-yloxypropyl)butane-1-sulfonamide
CID 63869320
N-(2-piperidin-4-yloxyethyl)-1H-pyrazole-4-sulfonamide
CID 63871314
N-(2,2-dimethoxyethyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103414719
1,1,1-trifluoro-N-(3-piperidin-4-yloxypropyl)methanesulfonamide
CID 63869486
2-methyl-N-[2-(propylamino)ethyl]-1,3-thiazole-5-sulfonamide;hydrochloride
CID 120716098
N-(3-chlorobutyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103415939

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-piperidin-4-yloxypropyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-methyl-N-(3-piperidin-4-yloxypropyl)-1,3-thiazole-5-sulfonamide (CID 103415141) is 2-methyl-N-(3-piperidin-4-yloxypropyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-methyl-N-(3-piperidin-4-yloxypropyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-methyl-N-(3-piperidin-4-yloxypropyl)-1,3-thiazole-5-sulfonamide is Cc1ncc(S(=O)(=O)NCCCOC2CCNCC2)s1.
What is the InChIKey of 2-methyl-N-(3-piperidin-4-yloxypropyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is IQBFWNFNPWGMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S2/c1-10-14-9-12(19-10)20(16,17)15-5-2-8-18-11-3-6-13-7-4-11/h9,11,13,15H,2-8H2,1H3.
What are the key properties of 2-methyl-N-(3-piperidin-4-yloxypropyl)-1,3-thiazole-5-sulfonamide?
2-methyl-N-(3-piperidin-4-yloxypropyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 319.45 g/mol, XLogP of 0.89, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-piperidin-4-yloxypropyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 103415141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).