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

C10H18N4O4S — CID 43664969

IUPACN-[2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]ethyl]methanesulfonamide
SMILESCn1c(CNCCNS(C)(=O)=O)cc(=O)n(C)c1=O
InChIInChI=1S/C10H18N4O4S/c1-13-8(6-9(15)14(2)10(13)16)7-11-4-5-12-19(3,17)18/h6,11-12H,4-5,7H2,1-3H3
InChIKeyQOUZLHGEMLIVDV-UHFFFAOYSA-N
MW290.35 g/mol
LogP-2.28
Rot. Bonds6

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

N-[2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]ethyl]methanesulfonamide (PubChem CID 43664969) has the molecular formula C10H18N4O4S and a molecular weight of 290.35 g/mol. Its IUPAC name is N-[2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]ethyl]methanesulfonamide
PubChem CID43664969
Molecular FormulaC10H18N4O4S
Molecular Weight290.35 g/mol
Exact Mass290.10
IUPAC NameN-[2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]ethyl]methanesulfonamide
SMILESCn1c(CNCCNS(C)(=O)=O)cc(=O)n(C)c1=O
InChIInChI=1S/C10H18N4O4S/c1-13-8(6-9(15)14(2)10(13)16)7-11-4-5-12-19(3,17)18/h6,11-12H,4-5,7H2,1-3H3
InChIKeyQOUZLHGEMLIVDV-UHFFFAOYSA-N
XLogP-2.28
TPSA102.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 5-2.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]ethyl]methanesulfonamide (CID 43664969) is N-[2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]ethyl]methanesulfonamide is Cn1c(CNCCNS(C)(=O)=O)cc(=O)n(C)c1=O.
What is the InChIKey of N-[2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]ethyl]methanesulfonamide?
The InChIKey is QOUZLHGEMLIVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O4S/c1-13-8(6-9(15)14(2)10(13)16)7-11-4-5-12-19(3,17)18/h6,11-12H,4-5,7H2,1-3H3.
What are the key properties of N-[2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]ethyl]methanesulfonamide?
N-[2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]ethyl]methanesulfonamide has a molecular weight of 290.35 g/mol, XLogP of -2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]ethyl]methanesulfonamide is sourced from PubChem (CID 43664969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).