N-[(3R,4S)-1-(6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide;hydrochloride

C17H26ClN3O3S — CID 154898973

IUPACN-[(3R,4S)-1-(6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide;hydrochloride
SMILESCC(C)[C@H]1CN(C(=O)c2cnc3c(c2)CCC3)C[C@@H]1NS(C)(=O)=O.Cl
InChIInChI=1S/C17H25N3O3S.ClH/c1-11(2)14-9-20(10-16(14)19-24(3,22)23)17(21)13-7-12-5-4-6-15(12)18-8-13;/h7-8,11,14,16,19H,4-6,9-10H2,1-3H3;1H/t14-,16+;/m1./s1
InChIKeyZOMXRPFIGCHTGT-XMZRARIVSA-N
MW387.93 g/mol
LogP1.64
Rot. Bonds4

About N-[(3R,4S)-1-(6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide;hydrochloride

N-[(3R,4S)-1-(6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide;hydrochloride (PubChem CID 154898973) has the molecular formula C17H26ClN3O3S and a molecular weight of 387.93 g/mol. Its IUPAC name is N-[(3R,4S)-1-(6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[(3R,4S)-1-(6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide;hydrochloride
PubChem CID154898973
Molecular FormulaC17H26ClN3O3S
Molecular Weight387.93 g/mol
Exact Mass387.14
IUPAC NameN-[(3R,4S)-1-(6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide;hydrochloride
SMILESCC(C)[C@H]1CN(C(=O)c2cnc3c(c2)CCC3)C[C@@H]1NS(C)(=O)=O.Cl
InChIInChI=1S/C17H25N3O3S.ClH/c1-11(2)14-9-20(10-16(14)19-24(3,22)23)17(21)13-7-12-5-4-6-15(12)18-8-13;/h7-8,11,14,16,19H,4-6,9-10H2,1-3H3;1H/t14-,16+;/m1./s1
InChIKeyZOMXRPFIGCHTGT-XMZRARIVSA-N
XLogP1.64
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.93
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1-(6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide;hydrochloride?
The IUPAC name of N-[(3R,4S)-1-(6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide;hydrochloride (CID 154898973) is N-[(3R,4S)-1-(6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide;hydrochloride.
What is the SMILES notation for N-[(3R,4S)-1-(6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide;hydrochloride?
The canonical SMILES for N-[(3R,4S)-1-(6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide;hydrochloride is CC(C)[C@H]1CN(C(=O)c2cnc3c(c2)CCC3)C[C@@H]1NS(C)(=O)=O.Cl.
What is the InChIKey of N-[(3R,4S)-1-(6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide;hydrochloride?
The InChIKey is ZOMXRPFIGCHTGT-XMZRARIVSA-N. The full InChI is InChI=1S/C17H25N3O3S.ClH/c1-11(2)14-9-20(10-16(14)19-24(3,22)23)17(21)13-7-12-5-4-6-15(12)18-8-13;/h7-8,11,14,16,19H,4-6,9-10H2,1-3H3;1H/t14-,16+;/m1./s1.
What are the key properties of N-[(3R,4S)-1-(6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide;hydrochloride?
N-[(3R,4S)-1-(6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide;hydrochloride has a molecular weight of 387.93 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-1-(6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 154898973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).