N-methyl-N-[(3S)-1,3,4-tritert-butyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]cyclopropanesulfonamide

C23H41N3O2S — CID 130219348

IUPACN-methyl-N-[(3S)-1,3,4-tritert-butyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]cyclopropanesulfonamide
SMILESCN(C1CC2=C(C(C)(C)C)[C@H](C(C)(C)C)N=C(C(C)(C)C)N2C1)S(=O)(=O)C1CC1
InChIInChI=1S/C23H41N3O2S/c1-21(2,3)18-17-13-15(25(10)29(27,28)16-11-12-16)14-26(17)20(23(7,8)9)24-19(18)22(4,5)6/h15-16,19H,11-14H2,1-10H3/t15?,19-/m1/s1
InChIKeyWBYCVDQZHUZWGC-XCWJXAQQSA-N
MW423.67 g/mol
LogP4.66
Rot. Bonds3

About N-methyl-N-[(3S)-1,3,4-tritert-butyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]cyclopropanesulfonamide

N-methyl-N-[(3S)-1,3,4-tritert-butyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]cyclopropanesulfonamide (PubChem CID 130219348) has the molecular formula C23H41N3O2S and a molecular weight of 423.67 g/mol. Its IUPAC name is N-methyl-N-[(3S)-1,3,4-tritert-butyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[(3S)-1,3,4-tritert-butyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]cyclopropanesulfonamide
PubChem CID130219348
Molecular FormulaC23H41N3O2S
Molecular Weight423.67 g/mol
Exact Mass423.29
IUPAC NameN-methyl-N-[(3S)-1,3,4-tritert-butyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]cyclopropanesulfonamide
SMILESCN(C1CC2=C(C(C)(C)C)[C@H](C(C)(C)C)N=C(C(C)(C)C)N2C1)S(=O)(=O)C1CC1
InChIInChI=1S/C23H41N3O2S/c1-21(2,3)18-17-13-15(25(10)29(27,28)16-11-12-16)14-26(17)20(23(7,8)9)24-19(18)22(4,5)6/h15-16,19H,11-14H2,1-10H3/t15?,19-/m1/s1
InChIKeyWBYCVDQZHUZWGC-XCWJXAQQSA-N
XLogP4.66
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.67
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-[(3S)-1,3,4-tritert-butyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]cyclopropanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3S)-1,3,4-tritert-butyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]cyclopropanesulfonamide?
The IUPAC name of N-methyl-N-[(3S)-1,3,4-tritert-butyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]cyclopropanesulfonamide (CID 130219348) is N-methyl-N-[(3S)-1,3,4-tritert-butyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-methyl-N-[(3S)-1,3,4-tritert-butyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]cyclopropanesulfonamide?
The canonical SMILES for N-methyl-N-[(3S)-1,3,4-tritert-butyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]cyclopropanesulfonamide is CN(C1CC2=C(C(C)(C)C)[C@H](C(C)(C)C)N=C(C(C)(C)C)N2C1)S(=O)(=O)C1CC1.
What is the InChIKey of N-methyl-N-[(3S)-1,3,4-tritert-butyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]cyclopropanesulfonamide?
The InChIKey is WBYCVDQZHUZWGC-XCWJXAQQSA-N. The full InChI is InChI=1S/C23H41N3O2S/c1-21(2,3)18-17-13-15(25(10)29(27,28)16-11-12-16)14-26(17)20(23(7,8)9)24-19(18)22(4,5)6/h15-16,19H,11-14H2,1-10H3/t15?,19-/m1/s1.
What are the key properties of N-methyl-N-[(3S)-1,3,4-tritert-butyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]cyclopropanesulfonamide?
N-methyl-N-[(3S)-1,3,4-tritert-butyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]cyclopropanesulfonamide has a molecular weight of 423.67 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3S)-1,3,4-tritert-butyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]cyclopropanesulfonamide is sourced from PubChem (CID 130219348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).