N-[[1-(4-amino-3-methyl-1,2-thiazole-5-carbonyl)piperidin-3-yl]methyl]-N-methylmethanesulfonamide

C13H22N4O3S2 — CID 166268617

IUPACN-[[1-(4-amino-3-methyl-1,2-thiazole-5-carbonyl)piperidin-3-yl]methyl]-N-methylmethanesulfonamide
SMILESCc1nsc(C(=O)N2CCCC(CN(C)S(C)(=O)=O)C2)c1N
InChIInChI=1S/C13H22N4O3S2/c1-9-11(14)12(21-15-9)13(18)17-6-4-5-10(8-17)7-16(2)22(3,19)20/h10H,4-8,14H2,1-3H3
InChIKeyRLTMFHSPTYGWLA-UHFFFAOYSA-N
MW346.48 g/mol
LogP0.78
Rot. Bonds4

About N-[[1-(4-amino-3-methyl-1,2-thiazole-5-carbonyl)piperidin-3-yl]methyl]-N-methylmethanesulfonamide

N-[[1-(4-amino-3-methyl-1,2-thiazole-5-carbonyl)piperidin-3-yl]methyl]-N-methylmethanesulfonamide (PubChem CID 166268617) has the molecular formula C13H22N4O3S2 and a molecular weight of 346.48 g/mol. Its IUPAC name is N-[[1-(4-amino-3-methyl-1,2-thiazole-5-carbonyl)piperidin-3-yl]methyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[[1-(4-amino-3-methyl-1,2-thiazole-5-carbonyl)piperidin-3-yl]methyl]-N-methylmethanesulfonamide
PubChem CID166268617
Molecular FormulaC13H22N4O3S2
Molecular Weight346.48 g/mol
Exact Mass346.11
IUPAC NameN-[[1-(4-amino-3-methyl-1,2-thiazole-5-carbonyl)piperidin-3-yl]methyl]-N-methylmethanesulfonamide
SMILESCc1nsc(C(=O)N2CCCC(CN(C)S(C)(=O)=O)C2)c1N
InChIInChI=1S/C13H22N4O3S2/c1-9-11(14)12(21-15-9)13(18)17-6-4-5-10(8-17)7-16(2)22(3,19)20/h10H,4-8,14H2,1-3H3
InChIKeyRLTMFHSPTYGWLA-UHFFFAOYSA-N
XLogP0.78
TPSA96.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[1-(4-amino-3-methyl-1,2-thiazole-5-carbonyl)piperidin-3-yl]methyl]-N-methylmethanesulfonamide with MolForge

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Related Compounds

N-methyl-N-[(1-methylpiperidin-3-yl)methyl]methanesulfonamide
CID 66804167
N-methyl-N-[[1-[2-(2-methylpropoxy)pyridine-3-carbonyl]piperidin-3-yl]methyl]methanesulfonamide
CID 126798032
[3-(hydroxymethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 43403557
[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107229398
tert-butyl N-[[1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]methyl]-N-methylcarbamate
CID 49027887
(3-ethylpiperidin-1-yl)-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone
CID 56812347
[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107229399
[3-(hydroxymethyl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 43589511
2-[[1-(4-methylthiadiazole-5-carbonyl)piperidin-3-yl]methylamino]acetic acid
CID 106813618
[(3R)-3-aminopiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 102983632
(3-aminopiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone
CID 65210383
N-(cyclohexylmethyl)-N-methylmethanesulfonamide
CID 60728833

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-amino-3-methyl-1,2-thiazole-5-carbonyl)piperidin-3-yl]methyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[[1-(4-amino-3-methyl-1,2-thiazole-5-carbonyl)piperidin-3-yl]methyl]-N-methylmethanesulfonamide (CID 166268617) is N-[[1-(4-amino-3-methyl-1,2-thiazole-5-carbonyl)piperidin-3-yl]methyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[[1-(4-amino-3-methyl-1,2-thiazole-5-carbonyl)piperidin-3-yl]methyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[[1-(4-amino-3-methyl-1,2-thiazole-5-carbonyl)piperidin-3-yl]methyl]-N-methylmethanesulfonamide is Cc1nsc(C(=O)N2CCCC(CN(C)S(C)(=O)=O)C2)c1N.
What is the InChIKey of N-[[1-(4-amino-3-methyl-1,2-thiazole-5-carbonyl)piperidin-3-yl]methyl]-N-methylmethanesulfonamide?
The InChIKey is RLTMFHSPTYGWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S2/c1-9-11(14)12(21-15-9)13(18)17-6-4-5-10(8-17)7-16(2)22(3,19)20/h10H,4-8,14H2,1-3H3.
What are the key properties of N-[[1-(4-amino-3-methyl-1,2-thiazole-5-carbonyl)piperidin-3-yl]methyl]-N-methylmethanesulfonamide?
N-[[1-(4-amino-3-methyl-1,2-thiazole-5-carbonyl)piperidin-3-yl]methyl]-N-methylmethanesulfonamide has a molecular weight of 346.48 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-amino-3-methyl-1,2-thiazole-5-carbonyl)piperidin-3-yl]methyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 166268617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).