N-[1-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide

C12H22N4O4S — CID 63860747

IUPACN-[1-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCn1c(CNCC(C)(C)NS(C)(=O)=O)cc(=O)n(C)c1=O
InChIInChI=1S/C12H22N4O4S/c1-12(2,14-21(5,19)20)8-13-7-9-6-10(17)16(4)11(18)15(9)3/h6,13-14H,7-8H2,1-5H3
InChIKeyJPMBCBWURGVNKW-UHFFFAOYSA-N
MW318.40 g/mol
LogP-1.50
Rot. Bonds6

About N-[1-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide

N-[1-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide (PubChem CID 63860747) has the molecular formula C12H22N4O4S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-[1-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide
PubChem CID63860747
Molecular FormulaC12H22N4O4S
Molecular Weight318.40 g/mol
Exact Mass318.14
IUPAC NameN-[1-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCn1c(CNCC(C)(C)NS(C)(=O)=O)cc(=O)n(C)c1=O
InChIInChI=1S/C12H22N4O4S/c1-12(2,14-21(5,19)20)8-13-7-9-6-10(17)16(4)11(18)15(9)3/h6,13-14H,7-8H2,1-5H3
InChIKeyJPMBCBWURGVNKW-UHFFFAOYSA-N
XLogP-1.50
TPSA102.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 5-1.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide (CID 63860747) is N-[1-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide is Cn1c(CNCC(C)(C)NS(C)(=O)=O)cc(=O)n(C)c1=O.
What is the InChIKey of N-[1-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide?
The InChIKey is JPMBCBWURGVNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O4S/c1-12(2,14-21(5,19)20)8-13-7-9-6-10(17)16(4)11(18)15(9)3/h6,13-14H,7-8H2,1-5H3.
What are the key properties of N-[1-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide?
N-[1-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide has a molecular weight of 318.40 g/mol, XLogP of -1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 63860747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).