N-(4-aminobutan-2-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide

C10H18N4O4S — CID 62094209

IUPACN-(4-aminobutan-2-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCC(CCN)NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C10H18N4O4S/c1-7(4-5-11)12-19(17,18)8-6-13(2)10(16)14(3)9(8)15/h6-7,12H,4-5,11H2,1-3H3
InChIKeyAFSGOKYJACIRPW-UHFFFAOYSA-N
MW290.35 g/mol
LogP-1.90
Rot. Bonds5

About N-(4-aminobutan-2-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide

N-(4-aminobutan-2-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide (PubChem CID 62094209) has the molecular formula C10H18N4O4S and a molecular weight of 290.35 g/mol. Its IUPAC name is N-(4-aminobutan-2-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(4-aminobutan-2-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
PubChem CID62094209
Molecular FormulaC10H18N4O4S
Molecular Weight290.35 g/mol
Exact Mass290.10
IUPAC NameN-(4-aminobutan-2-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCC(CCN)NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C10H18N4O4S/c1-7(4-5-11)12-19(17,18)8-6-13(2)10(16)14(3)9(8)15/h6-7,12H,4-5,11H2,1-3H3
InChIKeyAFSGOKYJACIRPW-UHFFFAOYSA-N
XLogP-1.90
TPSA116.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 5-1.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1,3-dimethyl-2,4-dioxo-N-pent-4-yn-2-ylpyrimidine-5-sulfonamide
CID 113245393
N-[(2R)-1-hydroxybutan-2-yl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 93084014
N-(4-amino-2,2-dimethylbutyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 106141539
(2S)-2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]-4-hydroxybutanoic acid
CID 104935018
(2S)-2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]pentanoic acid
CID 104934852
methyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]-3-hydroxypropanoate
CID 43624369
1,3-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]-2,4-dioxopyrimidine-5-sulfonamide
CID 47013196
N-(2-amino-2-methylpropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide;hydrochloride
CID 119988336
N-(2-methoxypropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 102697533
N-methoxy-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 60700424
N-[(1R)-1-(3,4-diethoxyphenyl)-2-methylpropyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 26201902
1,3-dimethyl-2,4-dioxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrimidine-5-sulfonamide
CID 24511010

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutan-2-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The IUPAC name of N-(4-aminobutan-2-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide (CID 62094209) is N-(4-aminobutan-2-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide.
What is the SMILES notation for N-(4-aminobutan-2-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The canonical SMILES for N-(4-aminobutan-2-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide is CC(CCN)NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O.
What is the InChIKey of N-(4-aminobutan-2-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The InChIKey is AFSGOKYJACIRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O4S/c1-7(4-5-11)12-19(17,18)8-6-13(2)10(16)14(3)9(8)15/h6-7,12H,4-5,11H2,1-3H3.
What are the key properties of N-(4-aminobutan-2-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
N-(4-aminobutan-2-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide has a molecular weight of 290.35 g/mol, XLogP of -1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutan-2-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide is sourced from PubChem (CID 62094209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).