N-[(3R,4S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-propylpyrrolidin-3-yl]cyclopropanesulfonamide;hydrochloride

C17H31ClN4O2S — CID 154899203

IUPACN-[(3R,4S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-propylpyrrolidin-3-yl]cyclopropanesulfonamide;hydrochloride
SMILESCCC[C@H]1CN(Cc2cn(CC)nc2C)C[C@@H]1NS(=O)(=O)C1CC1.Cl
InChIInChI=1S/C17H30N4O2S.ClH/c1-4-6-14-9-20(10-15-11-21(5-2)18-13(15)3)12-17(14)19-24(22,23)16-7-8-16;/h11,14,16-17,19H,4-10,12H2,1-3H3;1H/t14-,17-;/m0./s1
InChIKeyCHXYATMVMCKOPT-RVXRQPKJSA-N
MW390.98 g/mol
LogP2.32
Rot. Bonds8

About N-[(3R,4S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-propylpyrrolidin-3-yl]cyclopropanesulfonamide;hydrochloride

N-[(3R,4S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-propylpyrrolidin-3-yl]cyclopropanesulfonamide;hydrochloride (PubChem CID 154899203) has the molecular formula C17H31ClN4O2S and a molecular weight of 390.98 g/mol. Its IUPAC name is N-[(3R,4S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-propylpyrrolidin-3-yl]cyclopropanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[(3R,4S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-propylpyrrolidin-3-yl]cyclopropanesulfonamide;hydrochloride
PubChem CID154899203
Molecular FormulaC17H31ClN4O2S
Molecular Weight390.98 g/mol
Exact Mass390.19
IUPAC NameN-[(3R,4S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-propylpyrrolidin-3-yl]cyclopropanesulfonamide;hydrochloride
SMILESCCC[C@H]1CN(Cc2cn(CC)nc2C)C[C@@H]1NS(=O)(=O)C1CC1.Cl
InChIInChI=1S/C17H30N4O2S.ClH/c1-4-6-14-9-20(10-15-11-21(5-2)18-13(15)3)12-17(14)19-24(22,23)16-7-8-16;/h11,14,16-17,19H,4-10,12H2,1-3H3;1H/t14-,17-;/m0./s1
InChIKeyCHXYATMVMCKOPT-RVXRQPKJSA-N
XLogP2.32
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.98
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-propylpyrrolidin-3-yl]cyclopropanesulfonamide;hydrochloride?
The IUPAC name of N-[(3R,4S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-propylpyrrolidin-3-yl]cyclopropanesulfonamide;hydrochloride (CID 154899203) is N-[(3R,4S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-propylpyrrolidin-3-yl]cyclopropanesulfonamide;hydrochloride.
What is the SMILES notation for N-[(3R,4S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-propylpyrrolidin-3-yl]cyclopropanesulfonamide;hydrochloride?
The canonical SMILES for N-[(3R,4S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-propylpyrrolidin-3-yl]cyclopropanesulfonamide;hydrochloride is CCC[C@H]1CN(Cc2cn(CC)nc2C)C[C@@H]1NS(=O)(=O)C1CC1.Cl.
What is the InChIKey of N-[(3R,4S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-propylpyrrolidin-3-yl]cyclopropanesulfonamide;hydrochloride?
The InChIKey is CHXYATMVMCKOPT-RVXRQPKJSA-N. The full InChI is InChI=1S/C17H30N4O2S.ClH/c1-4-6-14-9-20(10-15-11-21(5-2)18-13(15)3)12-17(14)19-24(22,23)16-7-8-16;/h11,14,16-17,19H,4-10,12H2,1-3H3;1H/t14-,17-;/m0./s1.
What are the key properties of N-[(3R,4S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-propylpyrrolidin-3-yl]cyclopropanesulfonamide;hydrochloride?
N-[(3R,4S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-propylpyrrolidin-3-yl]cyclopropanesulfonamide;hydrochloride has a molecular weight of 390.98 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-propylpyrrolidin-3-yl]cyclopropanesulfonamide;hydrochloride is sourced from PubChem (CID 154899203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).