2-[(4-methoxy-6-methylpyrimidin-2-yl)sulfamoyl]butanethioamide

C10H16N4O3S2 — CID 107600498

IUPAC2-[(4-methoxy-6-methylpyrimidin-2-yl)sulfamoyl]butanethioamide
SMILESCCC(C(N)=S)S(=O)(=O)Nc1nc(C)cc(OC)n1
InChIInChI=1S/C10H16N4O3S2/c1-4-7(9(11)18)19(15,16)14-10-12-6(2)5-8(13-10)17-3/h5,7H,4H2,1-3H3,(H2,11,18)(H,12,13,14)
InChIKeyGPRZAPPTNTXIRB-UHFFFAOYSA-N
MW304.40 g/mol
LogP0.60
Rot. Bonds6

About 2-[(4-methoxy-6-methylpyrimidin-2-yl)sulfamoyl]butanethioamide

2-[(4-methoxy-6-methylpyrimidin-2-yl)sulfamoyl]butanethioamide (PubChem CID 107600498) has the molecular formula C10H16N4O3S2 and a molecular weight of 304.40 g/mol. Its IUPAC name is 2-[(4-methoxy-6-methylpyrimidin-2-yl)sulfamoyl]butanethioamide.

Molecular Properties

Compound Name2-[(4-methoxy-6-methylpyrimidin-2-yl)sulfamoyl]butanethioamide
PubChem CID107600498
Molecular FormulaC10H16N4O3S2
Molecular Weight304.40 g/mol
Exact Mass304.07
IUPAC Name2-[(4-methoxy-6-methylpyrimidin-2-yl)sulfamoyl]butanethioamide
SMILESCCC(C(N)=S)S(=O)(=O)Nc1nc(C)cc(OC)n1
InChIInChI=1S/C10H16N4O3S2/c1-4-7(9(11)18)19(15,16)14-10-12-6(2)5-8(13-10)17-3/h5,7H,4H2,1-3H3,(H2,11,18)(H,12,13,14)
InChIKeyGPRZAPPTNTXIRB-UHFFFAOYSA-N
XLogP0.60
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-cyano-N-(4-methoxy-6-methylpyrimidin-2-yl)propane-1-sulfonamide
CID 107600424
2-carbamothioyl-N-(4-methoxy-6-methylpyrimidin-2-yl)pentanamide
CID 107600470
2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)ethanesulfonamide
CID 107605614
4-hydroxy-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 107601659
2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)ethanesulfonamide
CID 107652681
2-carbamothioyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-2-methylbutanamide
CID 107600478
2-amino-5-bromo-N-(4-methoxy-6-methylpyrimidin-2-yl)pyridine-3-sulfonamide
CID 107603212
methyl 4-[(4-methoxy-6-methylpyrimidin-2-yl)sulfamoyl]butanoate
CID 107605578
3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide
CID 107601171
5-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-1H-pyrazole-4-sulfonamide
CID 107605465
methyl N-(4-methoxy-6-methylpyrimidin-2-yl)carbamodithioate
CID 117062845
3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]propanamide
CID 112691754

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-6-methylpyrimidin-2-yl)sulfamoyl]butanethioamide?
The IUPAC name of 2-[(4-methoxy-6-methylpyrimidin-2-yl)sulfamoyl]butanethioamide (CID 107600498) is 2-[(4-methoxy-6-methylpyrimidin-2-yl)sulfamoyl]butanethioamide.
What is the SMILES notation for 2-[(4-methoxy-6-methylpyrimidin-2-yl)sulfamoyl]butanethioamide?
The canonical SMILES for 2-[(4-methoxy-6-methylpyrimidin-2-yl)sulfamoyl]butanethioamide is CCC(C(N)=S)S(=O)(=O)Nc1nc(C)cc(OC)n1.
What is the InChIKey of 2-[(4-methoxy-6-methylpyrimidin-2-yl)sulfamoyl]butanethioamide?
The InChIKey is GPRZAPPTNTXIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3S2/c1-4-7(9(11)18)19(15,16)14-10-12-6(2)5-8(13-10)17-3/h5,7H,4H2,1-3H3,(H2,11,18)(H,12,13,14).
What are the key properties of 2-[(4-methoxy-6-methylpyrimidin-2-yl)sulfamoyl]butanethioamide?
2-[(4-methoxy-6-methylpyrimidin-2-yl)sulfamoyl]butanethioamide has a molecular weight of 304.40 g/mol, XLogP of 0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-6-methylpyrimidin-2-yl)sulfamoyl]butanethioamide is sourced from PubChem (CID 107600498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).