N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]butane-1-sulfonamide

C16H27N3O3S — CID 90635022

IUPACN-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC1CCC(Oc2nc(C)cc(C)n2)CC1
InChIInChI=1S/C16H27N3O3S/c1-4-5-10-23(20,21)19-14-6-8-15(9-7-14)22-16-17-12(2)11-13(3)18-16/h11,14-15,19H,4-10H2,1-3H3
InChIKeyCNXINLILTNPWJN-UHFFFAOYSA-N
MW341.48 g/mol
LogP2.50
Rot. Bonds7

About N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]butane-1-sulfonamide

N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]butane-1-sulfonamide (PubChem CID 90635022) has the molecular formula C16H27N3O3S and a molecular weight of 341.48 g/mol. Its IUPAC name is N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]butane-1-sulfonamide
PubChem CID90635022
Molecular FormulaC16H27N3O3S
Molecular Weight341.48 g/mol
Exact Mass341.18
IUPAC NameN-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC1CCC(Oc2nc(C)cc(C)n2)CC1
InChIInChI=1S/C16H27N3O3S/c1-4-5-10-23(20,21)19-14-6-8-15(9-7-14)22-16-17-12(2)11-13(3)18-16/h11,14-15,19H,4-10H2,1-3H3
InChIKeyCNXINLILTNPWJN-UHFFFAOYSA-N
XLogP2.50
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]butane-1-sulfonamide?
The IUPAC name of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]butane-1-sulfonamide (CID 90635022) is N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]butane-1-sulfonamide.
What is the SMILES notation for N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]butane-1-sulfonamide?
The canonical SMILES for N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]butane-1-sulfonamide is CCCCS(=O)(=O)NC1CCC(Oc2nc(C)cc(C)n2)CC1.
What is the InChIKey of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]butane-1-sulfonamide?
The InChIKey is CNXINLILTNPWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3S/c1-4-5-10-23(20,21)19-14-6-8-15(9-7-14)22-16-17-12(2)11-13(3)18-16/h11,14-15,19H,4-10H2,1-3H3.
What are the key properties of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]butane-1-sulfonamide?
N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]butane-1-sulfonamide has a molecular weight of 341.48 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]butane-1-sulfonamide is sourced from PubChem (CID 90635022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).