N-[[1-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]methanesulfonamide

C13H21N3O4S2 — CID 48594487

IUPACN-[[1-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]methanesulfonamide
SMILESCOCc1nc(C(=O)N2CCCCC2CNS(C)(=O)=O)cs1
InChIInChI=1S/C13H21N3O4S2/c1-20-8-12-15-11(9-21-12)13(17)16-6-4-3-5-10(16)7-14-22(2,18)19/h9-10,14H,3-8H2,1-2H3
InChIKeyKYHIFLQOWBEBDR-UHFFFAOYSA-N
MW347.46 g/mol
LogP0.83
Rot. Bonds6

About N-[[1-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]methanesulfonamide

N-[[1-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]methanesulfonamide (PubChem CID 48594487) has the molecular formula C13H21N3O4S2 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[[1-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]methanesulfonamide
PubChem CID48594487
Molecular FormulaC13H21N3O4S2
Molecular Weight347.46 g/mol
Exact Mass347.10
IUPAC NameN-[[1-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]methanesulfonamide
SMILESCOCc1nc(C(=O)N2CCCCC2CNS(C)(=O)=O)cs1
InChIInChI=1S/C13H21N3O4S2/c1-20-8-12-15-11(9-21-12)13(17)16-6-4-3-5-10(16)7-14-22(2,18)19/h9-10,14H,3-8H2,1-2H3
InChIKeyKYHIFLQOWBEBDR-UHFFFAOYSA-N
XLogP0.83
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-Isopropyl-piperazin-1-yl)-{2-[(2-methoxy-ethylamino)-methyl]-thiazol-4-yl}-methanone
CID 11558917
2-methyl-N-[(3R*,4R*)-4-piperidin-1-yltetrahydrofuran-3-yl]-1,3-thiazole-4-carboxamide
CID 50960786
1-(Ethylsulfonyl)-4-[(2-propyl-1,3-thiazol-4-yl)carbonyl]piperazine
CID 50966452
N-[(5R,9S)-2-(2-methyl-1,3-thiazole-4-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide
CID 97420113
N-[(5R,9R)-2-(2-methyl-1,3-thiazole-4-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide
CID 97420139
(3S*,4R*)-1-({2-[(dimethylamino)methyl]-1,3-thiazol-4-yl}carbonyl)-3-methoxypiperidin-4-amine
CID 56861480
2-methyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 72866223
N-{2-[2-(Hydroxymethyl)piperidin-1-YL]ethyl}-2-methyl-1,3-thiazole-4-carboxamide
CID 72871563
[2-(Aminomethyl)-1,3-thiazol-4-yl]-(2-ethyl-6-methylmorpholin-4-yl)methanone
CID 119751429
4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(1,1-dioxothian-4-yl)-1,3-thiazole-2-carboxamide
CID 132057349
4-(4,4-difluoro-2-methylpyrrolidine-1-carbonyl)-N-(1,1-dioxothian-4-yl)-1,3-thiazole-2-carboxamide
CID 175334760
Morpholin-4-yl-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)methanone
CID 3721516

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]methanesulfonamide (CID 48594487) is N-[[1-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]methanesulfonamide is COCc1nc(C(=O)N2CCCCC2CNS(C)(=O)=O)cs1.
What is the InChIKey of N-[[1-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]methanesulfonamide?
The InChIKey is KYHIFLQOWBEBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S2/c1-20-8-12-15-11(9-21-12)13(17)16-6-4-3-5-10(16)7-14-22(2,18)19/h9-10,14H,3-8H2,1-2H3.
What are the key properties of N-[[1-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]methanesulfonamide?
N-[[1-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]methanesulfonamide has a molecular weight of 347.46 g/mol, XLogP of 0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 48594487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).