4-(2-methoxyphenyl)-6-[4-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidine

C17H23N5O3S — CID 134149174

IUPAC4-(2-methoxyphenyl)-6-[4-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidine
SMILESCOc1ccccc1-c1cc(N2CCC(CNS(N)(=O)=O)CC2)ncn1
InChIInChI=1S/C17H23N5O3S/c1-25-16-5-3-2-4-14(16)15-10-17(20-12-19-15)22-8-6-13(7-9-22)11-21-26(18,23)24/h2-5,10,12-13,21H,6-9,11H2,1H3,(H2,18,23,24)
InChIKeyNQSWLDIWOLWDCZ-UHFFFAOYSA-N
MW377.47 g/mol
LogP1.16
Rot. Bonds6

About 4-(2-methoxyphenyl)-6-[4-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidine

4-(2-methoxyphenyl)-6-[4-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidine (PubChem CID 134149174) has the molecular formula C17H23N5O3S and a molecular weight of 377.47 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-6-[4-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-6-[4-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidine
PubChem CID134149174
Molecular FormulaC17H23N5O3S
Molecular Weight377.47 g/mol
Exact Mass377.15
IUPAC Name4-(2-methoxyphenyl)-6-[4-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidine
SMILESCOc1ccccc1-c1cc(N2CCC(CNS(N)(=O)=O)CC2)ncn1
InChIInChI=1S/C17H23N5O3S/c1-25-16-5-3-2-4-14(16)15-10-17(20-12-19-15)22-8-6-13(7-9-22)11-21-26(18,23)24/h2-5,10,12-13,21H,6-9,11H2,1H3,(H2,18,23,24)
InChIKeyNQSWLDIWOLWDCZ-UHFFFAOYSA-N
XLogP1.16
TPSA110.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-6-[4-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidine?
The IUPAC name of 4-(2-methoxyphenyl)-6-[4-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidine (CID 134149174) is 4-(2-methoxyphenyl)-6-[4-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4-(2-methoxyphenyl)-6-[4-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidine?
The canonical SMILES for 4-(2-methoxyphenyl)-6-[4-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidine is COc1ccccc1-c1cc(N2CCC(CNS(N)(=O)=O)CC2)ncn1.
What is the InChIKey of 4-(2-methoxyphenyl)-6-[4-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidine?
The InChIKey is NQSWLDIWOLWDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3S/c1-25-16-5-3-2-4-14(16)15-10-17(20-12-19-15)22-8-6-13(7-9-22)11-21-26(18,23)24/h2-5,10,12-13,21H,6-9,11H2,1H3,(H2,18,23,24).
What are the key properties of 4-(2-methoxyphenyl)-6-[4-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidine?
4-(2-methoxyphenyl)-6-[4-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidine has a molecular weight of 377.47 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-6-[4-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidine is sourced from PubChem (CID 134149174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).