N-(1-aminopentan-2-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide

C9H16N4O4S — CID 65192969

IUPACN-(1-aminopentan-2-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESCCCC(CN)NS(=O)(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H16N4O4S/c1-2-3-6(4-10)13-18(16,17)7-5-11-9(15)12-8(7)14/h5-6,13H,2-4,10H2,1H3,(H2,11,12,14,15)
InChIKeyJGNPENKROWSFHQ-UHFFFAOYSA-N
MW276.32 g/mol
LogP-1.53
Rot. Bonds6

About N-(1-aminopentan-2-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide

N-(1-aminopentan-2-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide (PubChem CID 65192969) has the molecular formula C9H16N4O4S and a molecular weight of 276.32 g/mol. Its IUPAC name is N-(1-aminopentan-2-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(1-aminopentan-2-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
PubChem CID65192969
Molecular FormulaC9H16N4O4S
Molecular Weight276.32 g/mol
Exact Mass276.09
IUPAC NameN-(1-aminopentan-2-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESCCCC(CN)NS(=O)(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H16N4O4S/c1-2-3-6(4-10)13-18(16,17)7-5-11-9(15)12-8(7)14/h5-6,13H,2-4,10H2,1H3,(H2,11,12,14,15)
InChIKeyJGNPENKROWSFHQ-UHFFFAOYSA-N
XLogP-1.53
TPSA137.91 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 5-1.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dioxo-N-propyl-1H-pyrimidine-5-sulfonamide
CID 43258987
N-ethyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 43258966
N-(1-aminopentan-2-yl)-1H-pyrrole-3-sulfonamide
CID 65193019
5-amino-2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-5-oxopentanoic acid
CID 43351322
N-(1-aminopentan-2-yl)-2,4-dibromobenzenesulfonamide
CID 65192509
N-(1-aminopentan-2-yl)-2-bromo-4-fluorobenzenesulfonamide
CID 65193170
4-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-2-methylbutanoic acid
CID 80540480
N-(1-aminopentan-2-yl)-2,6-difluorobenzenesulfonamide
CID 65192915
N-(1-aminopentan-2-yl)-2-methyl-3-nitrobenzenesulfonamide
CID 65192608
N-[4-(diethylamino)phenyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 7635718
3-N-(1-aminopentan-2-yl)benzene-1,3-disulfonamide
CID 65193230
3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-2-hydroxypropanoic acid
CID 66167300

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopentan-2-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The IUPAC name of N-(1-aminopentan-2-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide (CID 65192969) is N-(1-aminopentan-2-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide.
What is the SMILES notation for N-(1-aminopentan-2-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The canonical SMILES for N-(1-aminopentan-2-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide is CCCC(CN)NS(=O)(=O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of N-(1-aminopentan-2-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The InChIKey is JGNPENKROWSFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O4S/c1-2-3-6(4-10)13-18(16,17)7-5-11-9(15)12-8(7)14/h5-6,13H,2-4,10H2,1H3,(H2,11,12,14,15).
What are the key properties of N-(1-aminopentan-2-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
N-(1-aminopentan-2-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide has a molecular weight of 276.32 g/mol, XLogP of -1.53, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopentan-2-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide is sourced from PubChem (CID 65192969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).