N-[3-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]cyclopentyl]ethanesulfonamide

C18H33N5O2S — CID 139451517

IUPACN-[3-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]cyclopentyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCC(c2c(CN(C)CCNC)nn3c2CCC3)C1
InChIInChI=1S/C18H33N5O2S/c1-4-26(24,25)21-15-8-7-14(12-15)18-16(13-22(3)11-9-19-2)20-23-10-5-6-17(18)23/h14-15,19,21H,4-13H2,1-3H3
InChIKeyFHTXZCALHOMODW-UHFFFAOYSA-N
MW383.56 g/mol
LogP1.06
Rot. Bonds9

About N-[3-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]cyclopentyl]ethanesulfonamide

N-[3-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]cyclopentyl]ethanesulfonamide (PubChem CID 139451517) has the molecular formula C18H33N5O2S and a molecular weight of 383.56 g/mol. Its IUPAC name is N-[3-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]cyclopentyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]cyclopentyl]ethanesulfonamide
PubChem CID139451517
Molecular FormulaC18H33N5O2S
Molecular Weight383.56 g/mol
Exact Mass383.24
IUPAC NameN-[3-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]cyclopentyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCC(c2c(CN(C)CCNC)nn3c2CCC3)C1
InChIInChI=1S/C18H33N5O2S/c1-4-26(24,25)21-15-8-7-14(12-15)18-16(13-22(3)11-9-19-2)20-23-10-5-6-17(18)23/h14-15,19,21H,4-13H2,1-3H3
InChIKeyFHTXZCALHOMODW-UHFFFAOYSA-N
XLogP1.06
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.56
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]cyclopentyl]ethanesulfonamide with MolForge

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Related Compounds

US11028083, Example 54
CID 139451558
US11028083, Example 15
CID 139456555
US11028083, Example 50
CID 139456609
US11028083, Example 62a
CID 139456656
US11028083, Example 49
CID 139456716
N-((2-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)methyl)pyrrolidine-1-sulfonamide
CID 91819430
3-[3-(4-ethylsulfonylcyclohexyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]-1-N,2-N-dimethylpropane-1,2-diamine
CID 139451528
N'-[[3-(1-ethylsulfinyl-3,6-dihydro-2H-pyridin-4-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine
CID 153339570
(S)-2-methyl-N-[(3S)-spiro[6,7-diazatricyclo[6.3.0.02,6]undeca-1,7-diene-4,4'-piperidine]-3-yl]propane-2-sulfinamide
CID 165387961
(R)-2-methyl-N-[(3S)-spiro[6,7-diazatricyclo[6.3.0.02,6]undeca-1,7-diene-4,4'-piperidine]-3-yl]propane-2-sulfinamide
CID 165393276
1-[(3S)-spiro[6,7-diazatricyclo[6.3.0.02,6]undeca-1,7-diene-4,4'-piperidine]-3-yl]propane-2-sulfinamide
CID 171768713
3-decan-2-yl-2-ethyl-6-propan-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-amine
CID 175169660

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]cyclopentyl]ethanesulfonamide?
The IUPAC name of N-[3-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]cyclopentyl]ethanesulfonamide (CID 139451517) is N-[3-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]cyclopentyl]ethanesulfonamide.
What is the SMILES notation for N-[3-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]cyclopentyl]ethanesulfonamide?
The canonical SMILES for N-[3-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]cyclopentyl]ethanesulfonamide is CCS(=O)(=O)NC1CCC(c2c(CN(C)CCNC)nn3c2CCC3)C1.
What is the InChIKey of N-[3-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]cyclopentyl]ethanesulfonamide?
The InChIKey is FHTXZCALHOMODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N5O2S/c1-4-26(24,25)21-15-8-7-14(12-15)18-16(13-22(3)11-9-19-2)20-23-10-5-6-17(18)23/h14-15,19,21H,4-13H2,1-3H3.
What are the key properties of N-[3-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]cyclopentyl]ethanesulfonamide?
N-[3-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]cyclopentyl]ethanesulfonamide has a molecular weight of 383.56 g/mol, XLogP of 1.06, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]cyclopentyl]ethanesulfonamide is sourced from PubChem (CID 139451517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).