2-ethyl-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine

C17H22N6O2S2 — CID 133403059

IUPAC2-ethyl-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1nc(NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)c2ccsc2n1
InChIInChI=1S/C17H22N6O2S2/c1-3-15-20-16(14-6-9-26-17(14)21-15)19-12-4-7-23(8-5-12)27(24,25)13-10-18-22(2)11-13/h6,9-12H,3-5,7-8H2,1-2H3,(H,19,20,21)
InChIKeySNNKCBJNDQWLSN-UHFFFAOYSA-N
MW406.54 g/mol
LogP2.25
Rot. Bonds5

About 2-ethyl-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine

2-ethyl-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 133403059) has the molecular formula C17H22N6O2S2 and a molecular weight of 406.54 g/mol. Its IUPAC name is 2-ethyl-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID133403059
Molecular FormulaC17H22N6O2S2
Molecular Weight406.54 g/mol
Exact Mass406.12
IUPAC Name2-ethyl-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1nc(NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)c2ccsc2n1
InChIInChI=1S/C17H22N6O2S2/c1-3-15-20-16(14-6-9-26-17(14)21-15)19-12-4-7-23(8-5-12)27(24,25)13-10-18-22(2)11-13/h6,9-12H,3-5,7-8H2,1-2H3,(H,19,20,21)
InChIKeySNNKCBJNDQWLSN-UHFFFAOYSA-N
XLogP2.25
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.54
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-ethyl-3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidine-1-carboxamide
CID 133404333
2-ethyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine
CID 133403719
2-ethyl-N-(3-methoxycyclohexyl)thieno[2,3-d]pyrimidin-4-amine
CID 133423723
6-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]amino]pyridine-2-carboxylic acid
CID 122053952
N-methyl-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-amine
CID 115300352
(3S)-3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(2-hydroxyethyl)piperidin-2-one
CID 99634099
2-ethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 133404349
2-ethyl-N-(2-phenyloxolan-3-yl)thieno[2,3-d]pyrimidin-4-amine
CID 133403799
5-bromo-4-methoxy-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]pyrimidin-2-amine
CID 166233184
1-(1-methylpyrazol-4-yl)sulfonyl-4-thiophen-3-ylpiperidine
CID 71807083
N-methyl-2-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 120718316
N-(4-methyl-2-nitrophenyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-amine
CID 133340791

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-ethyl-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine (CID 133403059) is 2-ethyl-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine is CCc1nc(NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)c2ccsc2n1.
What is the InChIKey of 2-ethyl-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is SNNKCBJNDQWLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2S2/c1-3-15-20-16(14-6-9-26-17(14)21-15)19-12-4-7-23(8-5-12)27(24,25)13-10-18-22(2)11-13/h6,9-12H,3-5,7-8H2,1-2H3,(H,19,20,21).
What are the key properties of 2-ethyl-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine?
2-ethyl-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 406.54 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 133403059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).