N-(1,4-dimethyl-3-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)-N-(2-hydroxyethyl)methanesulfonamide

C15H27N3O3S — CID 126756710

IUPACN-(1,4-dimethyl-3-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)-N-(2-hydroxyethyl)methanesulfonamide
SMILESCC1=NC(C(C)C)C(C)=C2CC(N(CCO)S(C)(=O)=O)CN12
InChIInChI=1S/C15H27N3O3S/c1-10(2)15-11(3)14-8-13(9-17(14)12(4)16-15)18(6-7-19)22(5,20)21/h10,13,15,19H,6-9H2,1-5H3
InChIKeyONEHFSIWIYPYNU-UHFFFAOYSA-N
MW329.47 g/mol
LogP1.05
Rot. Bonds5

About N-(1,4-dimethyl-3-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)-N-(2-hydroxyethyl)methanesulfonamide

N-(1,4-dimethyl-3-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)-N-(2-hydroxyethyl)methanesulfonamide (PubChem CID 126756710) has the molecular formula C15H27N3O3S and a molecular weight of 329.47 g/mol. Its IUPAC name is N-(1,4-dimethyl-3-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)-N-(2-hydroxyethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(1,4-dimethyl-3-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)-N-(2-hydroxyethyl)methanesulfonamide
PubChem CID126756710
Molecular FormulaC15H27N3O3S
Molecular Weight329.47 g/mol
Exact Mass329.18
IUPAC NameN-(1,4-dimethyl-3-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)-N-(2-hydroxyethyl)methanesulfonamide
SMILESCC1=NC(C(C)C)C(C)=C2CC(N(CCO)S(C)(=O)=O)CN12
InChIInChI=1S/C15H27N3O3S/c1-10(2)15-11(3)14-8-13(9-17(14)12(4)16-15)18(6-7-19)22(5,20)21/h10,13,15,19H,6-9H2,1-5H3
InChIKeyONEHFSIWIYPYNU-UHFFFAOYSA-N
XLogP1.05
TPSA73.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,4-dimethyl-3-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)-N-(2-hydroxyethyl)methanesulfonamide with MolForge

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Related Compounds

2-[2-hydroxyethyl-[(3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]amino]ethanol
CID 126757009
[(3S,6S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methanol
CID 130218583
N-cyclobutyl-N-(2-hydroxyethyl)propane-2-sulfonamide
CID 102675881
1-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]-3-propan-2-ylurea
CID 113065754
N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)propane-2-sulfonamide
CID 64584958
3-amino-N-cyclopropyl-N-(2-hydroxyethyl)-4,5-dimethylbenzenesulfonamide
CID 43577817
4-amino-N-cyclopropyl-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide
CID 79588511
2-[2-hydroxyethyl-(1-methylpiperidin-4-yl)sulfamoyl]propanoic acid
CID 61458209
N-cyclobutyl-N-(2-hydroxyethyl)-2-methylpropane-1-sulfonamide
CID 102675688
2-(4-chlorophenyl)-N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]acetamide
CID 113065117
(3S,6R)-1,3,4-trimethyl-6-(2H-tetrazol-5-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine
CID 130218741
N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]-3-methylbutanamide
CID 113068123

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dimethyl-3-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)-N-(2-hydroxyethyl)methanesulfonamide?
The IUPAC name of N-(1,4-dimethyl-3-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)-N-(2-hydroxyethyl)methanesulfonamide (CID 126756710) is N-(1,4-dimethyl-3-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)-N-(2-hydroxyethyl)methanesulfonamide.
What is the SMILES notation for N-(1,4-dimethyl-3-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)-N-(2-hydroxyethyl)methanesulfonamide?
The canonical SMILES for N-(1,4-dimethyl-3-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)-N-(2-hydroxyethyl)methanesulfonamide is CC1=NC(C(C)C)C(C)=C2CC(N(CCO)S(C)(=O)=O)CN12.
What is the InChIKey of N-(1,4-dimethyl-3-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)-N-(2-hydroxyethyl)methanesulfonamide?
The InChIKey is ONEHFSIWIYPYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3S/c1-10(2)15-11(3)14-8-13(9-17(14)12(4)16-15)18(6-7-19)22(5,20)21/h10,13,15,19H,6-9H2,1-5H3.
What are the key properties of N-(1,4-dimethyl-3-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)-N-(2-hydroxyethyl)methanesulfonamide?
N-(1,4-dimethyl-3-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)-N-(2-hydroxyethyl)methanesulfonamide has a molecular weight of 329.47 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dimethyl-3-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)-N-(2-hydroxyethyl)methanesulfonamide is sourced from PubChem (CID 126756710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).