N-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methanesulfonamide

C12H22N4O2S2 — CID 70716729

IUPACN-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methanesulfonamide
SMILESCN(C)c1ncc(CN2CCC(NS(C)(=O)=O)CC2)s1
InChIInChI=1S/C12H22N4O2S2/c1-15(2)12-13-8-11(19-12)9-16-6-4-10(5-7-16)14-20(3,17)18/h8,10,14H,4-7,9H2,1-3H3
InChIKeyQEDWMDMTZFAJFX-UHFFFAOYSA-N
MW318.47 g/mol
LogP0.72
Rot. Bonds5

About N-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methanesulfonamide

N-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methanesulfonamide (PubChem CID 70716729) has the molecular formula C12H22N4O2S2 and a molecular weight of 318.47 g/mol. Its IUPAC name is N-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methanesulfonamide
PubChem CID70716729
Molecular FormulaC12H22N4O2S2
Molecular Weight318.47 g/mol
Exact Mass318.12
IUPAC NameN-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methanesulfonamide
SMILESCN(C)c1ncc(CN2CCC(NS(C)(=O)=O)CC2)s1
InChIInChI=1S/C12H22N4O2S2/c1-15(2)12-13-8-11(19-12)9-16-6-4-10(5-7-16)14-20(3,17)18/h8,10,14H,4-7,9H2,1-3H3
InChIKeyQEDWMDMTZFAJFX-UHFFFAOYSA-N
XLogP0.72
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 120782171
N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propane-1-sulfonamide;hydrochloride
CID 120902824
N,N-dimethyl-5-[[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 95893735
N,N-dimethyl-5-[[4-(1-morpholin-4-ylethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 70768932
N,N-dimethyl-5-[[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methyl]-1,3-thiazol-2-amine
CID 53498601
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]methanesulfonamide
CID 47140421
N-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methanesulfonamide
CID 77093819
N-[1-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)piperidin-4-yl]methanesulfonamide
CID 162632987
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]methanesulfonamide
CID 47134698
N-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]cyclopropanesulfonamide
CID 163344051
N-[1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]piperidin-4-yl]methanesulfonamide
CID 56720652
5-[[(2S)-2-[2-(dimethylamino)ethyl]morpholin-4-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 28729555

Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methanesulfonamide (CID 70716729) is N-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methanesulfonamide is CN(C)c1ncc(CN2CCC(NS(C)(=O)=O)CC2)s1.
What is the InChIKey of N-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methanesulfonamide?
The InChIKey is QEDWMDMTZFAJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S2/c1-15(2)12-13-8-11(19-12)9-16-6-4-10(5-7-16)14-20(3,17)18/h8,10,14H,4-7,9H2,1-3H3.
What are the key properties of N-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methanesulfonamide?
N-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methanesulfonamide has a molecular weight of 318.47 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 70716729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).