N-[1-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoyl]piperidin-4-yl]methanesulfonamide

C16H26N4O3S2 — CID 55492361

IUPACN-[1-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoyl]piperidin-4-yl]methanesulfonamide
SMILESCSc1nc(C)c(CCC(=O)N2CCC(NS(C)(=O)=O)CC2)c(C)n1
InChIInChI=1S/C16H26N4O3S2/c1-11-14(12(2)18-16(17-11)24-3)5-6-15(21)20-9-7-13(8-10-20)19-25(4,22)23/h13,19H,5-10H2,1-4H3
InChIKeyDEQMZVQAKIKVAP-UHFFFAOYSA-N
MW386.54 g/mol
LogP1.29
Rot. Bonds6

About N-[1-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoyl]piperidin-4-yl]methanesulfonamide

N-[1-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoyl]piperidin-4-yl]methanesulfonamide (PubChem CID 55492361) has the molecular formula C16H26N4O3S2 and a molecular weight of 386.54 g/mol. Its IUPAC name is N-[1-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoyl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoyl]piperidin-4-yl]methanesulfonamide
PubChem CID55492361
Molecular FormulaC16H26N4O3S2
Molecular Weight386.54 g/mol
Exact Mass386.14
IUPAC NameN-[1-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoyl]piperidin-4-yl]methanesulfonamide
SMILESCSc1nc(C)c(CCC(=O)N2CCC(NS(C)(=O)=O)CC2)c(C)n1
InChIInChI=1S/C16H26N4O3S2/c1-11-14(12(2)18-16(17-11)24-3)5-6-15(21)20-9-7-13(8-10-20)19-25(4,22)23/h13,19H,5-10H2,1-4H3
InChIKeyDEQMZVQAKIKVAP-UHFFFAOYSA-N
XLogP1.29
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoyl]piperidin-4-yl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-1-[4-(2-methylsulfonylethyl)piperazin-1-yl]propan-1-one
CID 56544815
N-[1-[3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanoyl]piperidin-4-yl]methanesulfonamide
CID 22110277
N-(1-butanoylpiperidin-4-yl)methanesulfonamide
CID 60708278
(3S)-1-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoyl]piperidine-3-carboxylic acid
CID 119137297
6-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119137382
N-[1-[3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 41247054
methyl 4-[4-(methanesulfonamido)piperidin-1-yl]-4-oxobutanoate
CID 110819832
N-[1-[3-(4-tert-butylphenyl)propanoyl]piperidin-4-yl]methanesulfonamide
CID 55484384
1-(4-benzylpiperazin-4-ium-1-yl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propan-1-one
CID 9041735
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)propan-1-one
CID 99773865
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one
CID 9476800
N-[1-(6-aminohexanoyl)piperidin-4-yl]methanesulfonamide
CID 54870016

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoyl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoyl]piperidin-4-yl]methanesulfonamide (CID 55492361) is N-[1-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoyl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoyl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoyl]piperidin-4-yl]methanesulfonamide is CSc1nc(C)c(CCC(=O)N2CCC(NS(C)(=O)=O)CC2)c(C)n1.
What is the InChIKey of N-[1-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoyl]piperidin-4-yl]methanesulfonamide?
The InChIKey is DEQMZVQAKIKVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3S2/c1-11-14(12(2)18-16(17-11)24-3)5-6-15(21)20-9-7-13(8-10-20)19-25(4,22)23/h13,19H,5-10H2,1-4H3.
What are the key properties of N-[1-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoyl]piperidin-4-yl]methanesulfonamide?
N-[1-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoyl]piperidin-4-yl]methanesulfonamide has a molecular weight of 386.54 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoyl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 55492361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).