N-[(3S,4R)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide

C18H32N4O2S — CID 70730661

IUPACN-[(3S,4R)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide
SMILESCC(C)[C@@H]1CN(Cc2cn[nH]c2C2CCCCC2)C[C@H]1NS(C)(=O)=O
InChIInChI=1S/C18H32N4O2S/c1-13(2)16-11-22(12-17(16)21-25(3,23)24)10-15-9-19-20-18(15)14-7-5-4-6-8-14/h9,13-14,16-17,21H,4-8,10-12H2,1-3H3,(H,19,20)/t16-,17+/m0/s1
InChIKeyJCCOVSUPCLEHDS-DLBZAZTESA-N
MW368.55 g/mol
LogP2.46
Rot. Bonds6

About N-[(3S,4R)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide

N-[(3S,4R)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide (PubChem CID 70730661) has the molecular formula C18H32N4O2S and a molecular weight of 368.55 g/mol. Its IUPAC name is N-[(3S,4R)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide
PubChem CID70730661
Molecular FormulaC18H32N4O2S
Molecular Weight368.55 g/mol
Exact Mass368.22
IUPAC NameN-[(3S,4R)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide
SMILESCC(C)[C@@H]1CN(Cc2cn[nH]c2C2CCCCC2)C[C@H]1NS(C)(=O)=O
InChIInChI=1S/C18H32N4O2S/c1-13(2)16-11-22(12-17(16)21-25(3,23)24)10-15-9-19-20-18(15)14-7-5-4-6-8-14/h9,13-14,16-17,21H,4-8,10-12H2,1-3H3,(H,19,20)/t16-,17+/m0/s1
InChIKeyJCCOVSUPCLEHDS-DLBZAZTESA-N
XLogP2.46
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.55
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(3S,4R)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide (CID 70730661) is N-[(3S,4R)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3S,4R)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3S,4R)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide is CC(C)[C@@H]1CN(Cc2cn[nH]c2C2CCCCC2)C[C@H]1NS(C)(=O)=O.
What is the InChIKey of N-[(3S,4R)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide?
The InChIKey is JCCOVSUPCLEHDS-DLBZAZTESA-N. The full InChI is InChI=1S/C18H32N4O2S/c1-13(2)16-11-22(12-17(16)21-25(3,23)24)10-15-9-19-20-18(15)14-7-5-4-6-8-14/h9,13-14,16-17,21H,4-8,10-12H2,1-3H3,(H,19,20)/t16-,17+/m0/s1.
What are the key properties of N-[(3S,4R)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide?
N-[(3S,4R)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide has a molecular weight of 368.55 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 70730661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).