N-(1-ethyl-3,4-dimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)azetidine-1-sulfonamide

C14H24N4O2S — CID 126756903

IUPACN-(1-ethyl-3,4-dimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)azetidine-1-sulfonamide
SMILESCCC1=NC(C)C(C)=C2CC(NS(=O)(=O)N3CCC3)CN12
InChIInChI=1S/C14H24N4O2S/c1-4-14-15-11(3)10(2)13-8-12(9-18(13)14)16-21(19,20)17-6-5-7-17/h11-12,16H,4-9H2,1-3H3
InChIKeyUKXOXKGRDHJCLB-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.09
Rot. Bonds4

About N-(1-ethyl-3,4-dimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)azetidine-1-sulfonamide

N-(1-ethyl-3,4-dimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)azetidine-1-sulfonamide (PubChem CID 126756903) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-(1-ethyl-3,4-dimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)azetidine-1-sulfonamide.

Molecular Properties

Compound NameN-(1-ethyl-3,4-dimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)azetidine-1-sulfonamide
PubChem CID126756903
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC NameN-(1-ethyl-3,4-dimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)azetidine-1-sulfonamide
SMILESCCC1=NC(C)C(C)=C2CC(NS(=O)(=O)N3CCC3)CN12
InChIInChI=1S/C14H24N4O2S/c1-4-14-15-11(3)10(2)13-8-12(9-18(13)14)16-21(19,20)17-6-5-7-17/h11-12,16H,4-9H2,1-3H3
InChIKeyUKXOXKGRDHJCLB-UHFFFAOYSA-N
XLogP1.09
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-3,4-dimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)azetidine-1-sulfonamide?
The IUPAC name of N-(1-ethyl-3,4-dimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)azetidine-1-sulfonamide (CID 126756903) is N-(1-ethyl-3,4-dimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)azetidine-1-sulfonamide.
What is the SMILES notation for N-(1-ethyl-3,4-dimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)azetidine-1-sulfonamide?
The canonical SMILES for N-(1-ethyl-3,4-dimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)azetidine-1-sulfonamide is CCC1=NC(C)C(C)=C2CC(NS(=O)(=O)N3CCC3)CN12.
What is the InChIKey of N-(1-ethyl-3,4-dimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)azetidine-1-sulfonamide?
The InChIKey is UKXOXKGRDHJCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-4-14-15-11(3)10(2)13-8-12(9-18(13)14)16-21(19,20)17-6-5-7-17/h11-12,16H,4-9H2,1-3H3.
What are the key properties of N-(1-ethyl-3,4-dimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)azetidine-1-sulfonamide?
N-(1-ethyl-3,4-dimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)azetidine-1-sulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-3,4-dimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)azetidine-1-sulfonamide is sourced from PubChem (CID 126756903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).