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

C12H21N3O2S — CID 130218367

IUPACN-[[(3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]methanesulfonamide
SMILESCC1=N[C@@H](C)C(C)=C2CC(CNS(C)(=O)=O)CN12
InChIInChI=1S/C12H21N3O2S/c1-8-9(2)14-10(3)15-7-11(5-12(8)15)6-13-18(4,16)17/h9,11,13H,5-7H2,1-4H3/t9-,11?/m0/s1
InChIKeyMFHFJTDKXYTPGK-FTNKSUMCSA-N
MW271.39 g/mol
LogP0.95
Rot. Bonds3

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

N-[[(3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]methanesulfonamide (PubChem CID 130218367) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is N-[[(3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]methanesulfonamide
PubChem CID130218367
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC NameN-[[(3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]methanesulfonamide
SMILESCC1=N[C@@H](C)C(C)=C2CC(CNS(C)(=O)=O)CN12
InChIInChI=1S/C12H21N3O2S/c1-8-9(2)14-10(3)15-7-11(5-12(8)15)6-13-18(4,16)17/h9,11,13H,5-7H2,1-4H3/t9-,11?/m0/s1
InChIKeyMFHFJTDKXYTPGK-FTNKSUMCSA-N
XLogP0.95
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S,6S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methanol
CID 130218583
2-[(3S,6S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]acetonitrile
CID 130218698
(3S,6S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-ol
CID 130219048
N-(1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)cyclopentanesulfonamide
CID 130218348
N-methyl-N-[(3S,6S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]cyclopropanesulfonamide
CID 126756564
1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-6-carbonitrile
CID 130218065
2-[2-hydroxyethyl-[(3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]amino]ethanol
CID 126757009
(3S,6R)-1,3,4-trimethyl-6-(2H-tetrazol-5-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine
CID 130218741
N-[[1,3-ditert-butyl-4-[2-(disulfanyl)propan-2-yl]-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]methanesulfonamide
CID 130219019
(3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-6-carboximidamide
CID 130219193
N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]methanesulfonamide
CID 99919595
N-[(3-aminocyclobutyl)methyl]methanesulfonamide
CID 66005835

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[(3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]methanesulfonamide (CID 130218367) is N-[[(3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]methanesulfonamide is CC1=N[C@@H](C)C(C)=C2CC(CNS(C)(=O)=O)CN12.
What is the InChIKey of N-[[(3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]methanesulfonamide?
The InChIKey is MFHFJTDKXYTPGK-FTNKSUMCSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-8-9(2)14-10(3)15-7-11(5-12(8)15)6-13-18(4,16)17/h9,11,13H,5-7H2,1-4H3/t9-,11?/m0/s1.
What are the key properties of N-[[(3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]methanesulfonamide?
N-[[(3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]methanesulfonamide has a molecular weight of 271.39 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]methanesulfonamide is sourced from PubChem (CID 130218367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).