3-(methoxymethyl)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]piperidine-1-sulfonamide

C15H22N4O4S2 — CID 137247431

IUPAC3-(methoxymethyl)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]piperidine-1-sulfonamide
SMILESCOCC1CCCN(S(=O)(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)C1
InChIInChI=1S/C15H22N4O4S2/c1-18(9-13-16-12-5-7-24-14(12)15(20)17-13)25(21,22)19-6-3-4-11(8-19)10-23-2/h5,7,11H,3-4,6,8-10H2,1-2H3,(H,16,17,20)
InChIKeyVFWGYEFYCIKFNS-UHFFFAOYSA-N
MW386.50 g/mol
LogP1.02
Rot. Bonds6

About 3-(methoxymethyl)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]piperidine-1-sulfonamide

3-(methoxymethyl)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]piperidine-1-sulfonamide (PubChem CID 137247431) has the molecular formula C15H22N4O4S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 3-(methoxymethyl)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name3-(methoxymethyl)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]piperidine-1-sulfonamide
PubChem CID137247431
Molecular FormulaC15H22N4O4S2
Molecular Weight386.50 g/mol
Exact Mass386.11
IUPAC Name3-(methoxymethyl)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]piperidine-1-sulfonamide
SMILESCOCC1CCCN(S(=O)(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)C1
InChIInChI=1S/C15H22N4O4S2/c1-18(9-13-16-12-5-7-24-14(12)15(20)17-13)25(21,22)19-6-3-4-11(8-19)10-23-2/h5,7,11H,3-4,6,8-10H2,1-2H3,(H,16,17,20)
InChIKeyVFWGYEFYCIKFNS-UHFFFAOYSA-N
XLogP1.02
TPSA95.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(methoxymethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]piperidine-1-sulfonamide
CID 131891596
N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]methanesulfonamide
CID 135992532
N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 137287016
(3R)-N-(1H-benzimidazol-2-ylmethyl)-N,3-dimethylpiperidine-1-sulfonamide
CID 35385286
2,4-dimethoxy-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]benzenesulfonamide
CID 167775688
2-[[(3R)-3-methylpiperidin-1-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 135869251
2-methoxy-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]propanamide
CID 136967428
2-[[methyl(pyrrolidin-3-yl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one;hydrochloride
CID 137154605
2-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136811801
2-[[methyl-(4,5,6-trimethylpyrimidin-2-yl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 163317705
2-(pyrrolidin-2-ylmethoxymethyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 136767022
2-(piperidin-1-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 135496263

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]piperidine-1-sulfonamide?
The IUPAC name of 3-(methoxymethyl)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]piperidine-1-sulfonamide (CID 137247431) is 3-(methoxymethyl)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]piperidine-1-sulfonamide.
What is the SMILES notation for 3-(methoxymethyl)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]piperidine-1-sulfonamide?
The canonical SMILES for 3-(methoxymethyl)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]piperidine-1-sulfonamide is COCC1CCCN(S(=O)(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)C1.
What is the InChIKey of 3-(methoxymethyl)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]piperidine-1-sulfonamide?
The InChIKey is VFWGYEFYCIKFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O4S2/c1-18(9-13-16-12-5-7-24-14(12)15(20)17-13)25(21,22)19-6-3-4-11(8-19)10-23-2/h5,7,11H,3-4,6,8-10H2,1-2H3,(H,16,17,20).
What are the key properties of 3-(methoxymethyl)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]piperidine-1-sulfonamide?
3-(methoxymethyl)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]piperidine-1-sulfonamide has a molecular weight of 386.50 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]piperidine-1-sulfonamide is sourced from PubChem (CID 137247431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).