ethane;N-[(3S,6S)-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]pyrrolidine-1-sulfonamide

C14H26N4O2S — CID 144965904

IUPACethane;N-[(3S,6S)-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]pyrrolidine-1-sulfonamide
SMILESCC.C[C@H]1C=C2C[C@H](NS(=O)(=O)N3CCCC3)CN2C=N1
InChIInChI=1S/C12H20N4O2S.C2H6/c1-10-6-12-7-11(8-15(12)9-13-10)14-19(17,18)16-4-2-3-5-16;1-2/h6,9-11,14H,2-5,7-8H2,1H3;1-2H3/t10-,11-;/m0./s1
InChIKeyNQIBPUFIQYOMGG-ACMTZBLWSA-N
MW314.46 g/mol
LogP1.33
Rot. Bonds3

About ethane;N-[(3S,6S)-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]pyrrolidine-1-sulfonamide

ethane;N-[(3S,6S)-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]pyrrolidine-1-sulfonamide (PubChem CID 144965904) has the molecular formula C14H26N4O2S and a molecular weight of 314.46 g/mol. Its IUPAC name is ethane;N-[(3S,6S)-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound Nameethane;N-[(3S,6S)-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]pyrrolidine-1-sulfonamide
PubChem CID144965904
Molecular FormulaC14H26N4O2S
Molecular Weight314.46 g/mol
Exact Mass314.18
IUPAC Nameethane;N-[(3S,6S)-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]pyrrolidine-1-sulfonamide
SMILESCC.C[C@H]1C=C2C[C@H](NS(=O)(=O)N3CCCC3)CN2C=N1
InChIInChI=1S/C12H20N4O2S.C2H6/c1-10-6-12-7-11(8-15(12)9-13-10)14-19(17,18)16-4-2-3-5-16;1-2/h6,9-11,14H,2-5,7-8H2,1H3;1-2H3/t10-,11-;/m0./s1
InChIKeyNQIBPUFIQYOMGG-ACMTZBLWSA-N
XLogP1.33
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropylpyrrolidine-1-sulfonamide
CID 60723889
N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azepane-1-sulfonamide
CID 94639342
N-(1-ethyl-3,4-dimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)azetidine-1-sulfonamide
CID 126756903
N-cycloheptylpiperidine-1-sulfonamide
CID 110705910
N-(3-aminocyclobutyl)piperidine-1-sulfonamide
CID 43597759
N-[4-(methylamino)cyclohexyl]piperidine-1-sulfonamide
CID 43653532
N-(2-methylpiperidin-4-yl)azepane-1-sulfonamide
CID 106995874
N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]piperidine-1-sulfonamide
CID 42381458
N-cyclopropyl-3-methylpiperidine-1-sulfonamide
CID 60746010
N-[(3S,4S)-1,4-dimethylpyrrolidin-3-yl]pyrrolidine-1-sulfonamide
CID 98775179
2,6-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)morpholine-4-sulfonamide
CID 47958261
N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]pyrrolidine-1-sulfonamide
CID 45234279

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(3S,6S)-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]pyrrolidine-1-sulfonamide?
The IUPAC name of ethane;N-[(3S,6S)-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]pyrrolidine-1-sulfonamide (CID 144965904) is ethane;N-[(3S,6S)-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for ethane;N-[(3S,6S)-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]pyrrolidine-1-sulfonamide?
The canonical SMILES for ethane;N-[(3S,6S)-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]pyrrolidine-1-sulfonamide is CC.C[C@H]1C=C2C[C@H](NS(=O)(=O)N3CCCC3)CN2C=N1.
What is the InChIKey of ethane;N-[(3S,6S)-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]pyrrolidine-1-sulfonamide?
The InChIKey is NQIBPUFIQYOMGG-ACMTZBLWSA-N. The full InChI is InChI=1S/C12H20N4O2S.C2H6/c1-10-6-12-7-11(8-15(12)9-13-10)14-19(17,18)16-4-2-3-5-16;1-2/h6,9-11,14H,2-5,7-8H2,1H3;1-2H3/t10-,11-;/m0./s1.
What are the key properties of ethane;N-[(3S,6S)-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]pyrrolidine-1-sulfonamide?
ethane;N-[(3S,6S)-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]pyrrolidine-1-sulfonamide has a molecular weight of 314.46 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(3S,6S)-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 144965904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).