N-(1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)cyclopentanesulfonamide

C15H25N3O2S — CID 130218348

IUPACN-(1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)cyclopentanesulfonamide
SMILESCC1=NC(C)C(C)=C2CC(NS(=O)(=O)C3CCCC3)CN12
InChIInChI=1S/C15H25N3O2S/c1-10-11(2)16-12(3)18-9-13(8-15(10)18)17-21(19,20)14-6-4-5-7-14/h11,13-14,17H,4-9H2,1-3H3
InChIKeyPENJTYAALQKWOH-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.02
Rot. Bonds3

About N-(1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)cyclopentanesulfonamide

N-(1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)cyclopentanesulfonamide (PubChem CID 130218348) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-(1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)cyclopentanesulfonamide.

Molecular Properties

Compound NameN-(1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)cyclopentanesulfonamide
PubChem CID130218348
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN-(1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)cyclopentanesulfonamide
SMILESCC1=NC(C)C(C)=C2CC(NS(=O)(=O)C3CCCC3)CN12
InChIInChI=1S/C15H25N3O2S/c1-10-11(2)16-12(3)18-9-13(8-15(10)18)17-21(19,20)14-6-4-5-7-14/h11,13-14,17H,4-9H2,1-3H3
InChIKeyPENJTYAALQKWOH-UHFFFAOYSA-N
XLogP2.02
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(3S,6S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]cyclopropanesulfonamide
CID 126756564
N-[[(3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]methanesulfonamide
CID 130218367
N-(1-ethyl-3,4-dimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)azetidine-1-sulfonamide
CID 126756903
(3S,6S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-ol
CID 130219048
N-[(3S)-1,4-ditert-butyl-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]-3-hydroxycyclobutane-1-sulfonamide
CID 130208929
[(3S,6S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methanol
CID 130218583
1-acetyl-N-[(3S,6S)-1,4-ditert-butyl-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]azetidine-3-sulfonamide
CID 130208932
N-[(3S,6S)-4-tert-butyl-1-ethyl-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]-3,3-difluorocyclobutane-1-sulfonamide
CID 130218807
2-[(3S,6S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]acetonitrile
CID 130218698
(3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-6-carboximidamide
CID 130219193
N-(4-bromocyclohexyl)cyclohexanesulfonamide
CID 114295814
2-[2-hydroxyethyl-[(3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]amino]ethanol
CID 126757009

Frequently Asked Questions

What is the IUPAC name of N-(1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)cyclopentanesulfonamide?
The IUPAC name of N-(1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)cyclopentanesulfonamide (CID 130218348) is N-(1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)cyclopentanesulfonamide.
What is the SMILES notation for N-(1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)cyclopentanesulfonamide?
The canonical SMILES for N-(1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)cyclopentanesulfonamide is CC1=NC(C)C(C)=C2CC(NS(=O)(=O)C3CCCC3)CN12.
What is the InChIKey of N-(1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)cyclopentanesulfonamide?
The InChIKey is PENJTYAALQKWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-10-11(2)16-12(3)18-9-13(8-15(10)18)17-21(19,20)14-6-4-5-7-14/h11,13-14,17H,4-9H2,1-3H3.
What are the key properties of N-(1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)cyclopentanesulfonamide?
N-(1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)cyclopentanesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)cyclopentanesulfonamide is sourced from PubChem (CID 130218348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).