2-(ethylamino)-N-methyl-N-(oxan-4-ylmethyl)pyrimidine-5-sulfonamide

C13H22N4O3S — CID 63706928

IUPAC2-(ethylamino)-N-methyl-N-(oxan-4-ylmethyl)pyrimidine-5-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)N(C)CC2CCOCC2)cn1
InChIInChI=1S/C13H22N4O3S/c1-3-14-13-15-8-12(9-16-13)21(18,19)17(2)10-11-4-6-20-7-5-11/h8-9,11H,3-7,10H2,1-2H3,(H,14,15,16)
InChIKeyQITLSMGURVJUCT-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.96
Rot. Bonds6

About 2-(ethylamino)-N-methyl-N-(oxan-4-ylmethyl)pyrimidine-5-sulfonamide

2-(ethylamino)-N-methyl-N-(oxan-4-ylmethyl)pyrimidine-5-sulfonamide (PubChem CID 63706928) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-(ethylamino)-N-methyl-N-(oxan-4-ylmethyl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-(ethylamino)-N-methyl-N-(oxan-4-ylmethyl)pyrimidine-5-sulfonamide
PubChem CID63706928
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC Name2-(ethylamino)-N-methyl-N-(oxan-4-ylmethyl)pyrimidine-5-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)N(C)CC2CCOCC2)cn1
InChIInChI=1S/C13H22N4O3S/c1-3-14-13-15-8-12(9-16-13)21(18,19)17(2)10-11-4-6-20-7-5-11/h8-9,11H,3-7,10H2,1-2H3,(H,14,15,16)
InChIKeyQITLSMGURVJUCT-UHFFFAOYSA-N
XLogP0.96
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(cyclohexylmethyl)-2-hydrazinyl-N-methylpyrimidine-5-sulfonamide
CID 61443170
2-(ethylamino)-N-methyl-N-(2-methyloxolan-3-yl)pyrimidine-5-sulfonamide
CID 82743253
N-cyclohexyl-2-(ethylamino)-N-methylpyrimidine-5-sulfonamide
CID 62148862
5-bromo-N-methyl-2-(methylamino)-N-(oxan-4-ylmethyl)pyridine-3-sulfonamide
CID 63706424
N-(cyclopropylmethyl)-2-(ethylamino)pyrimidine-5-sulfonamide
CID 62150077
4-(bromomethyl)-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 65481628
4-methoxy-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 110752470
3,4-difluoro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 91905238
N-(cyclopentylmethyl)-2-(ethylamino)pyrimidine-5-sulfonamide
CID 62145867
2-[4-[methyl(oxan-4-ylmethyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 63712750
2-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 63713361
N-(cyclohexylmethyl)-2-(ethylamino)-N-methylpyridine-4-sulfonamide
CID 62151719

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-methyl-N-(oxan-4-ylmethyl)pyrimidine-5-sulfonamide?
The IUPAC name of 2-(ethylamino)-N-methyl-N-(oxan-4-ylmethyl)pyrimidine-5-sulfonamide (CID 63706928) is 2-(ethylamino)-N-methyl-N-(oxan-4-ylmethyl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-(ethylamino)-N-methyl-N-(oxan-4-ylmethyl)pyrimidine-5-sulfonamide?
The canonical SMILES for 2-(ethylamino)-N-methyl-N-(oxan-4-ylmethyl)pyrimidine-5-sulfonamide is CCNc1ncc(S(=O)(=O)N(C)CC2CCOCC2)cn1.
What is the InChIKey of 2-(ethylamino)-N-methyl-N-(oxan-4-ylmethyl)pyrimidine-5-sulfonamide?
The InChIKey is QITLSMGURVJUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-3-14-13-15-8-12(9-16-13)21(18,19)17(2)10-11-4-6-20-7-5-11/h8-9,11H,3-7,10H2,1-2H3,(H,14,15,16).
What are the key properties of 2-(ethylamino)-N-methyl-N-(oxan-4-ylmethyl)pyrimidine-5-sulfonamide?
2-(ethylamino)-N-methyl-N-(oxan-4-ylmethyl)pyrimidine-5-sulfonamide has a molecular weight of 314.41 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-methyl-N-(oxan-4-ylmethyl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 63706928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).