N-[(3S,4R)-4-propan-2-yl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanesulfonamide

C14H26N4O4S2 — CID 70742820

IUPACN-[(3S,4R)-4-propan-2-yl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanesulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1C[C@@H](NS(C)(=O)=O)[C@H](C(C)C)C1
InChIInChI=1S/C14H26N4O4S2/c1-9(2)12-7-18(8-13(12)16-23(6,19)20)24(21,22)14-10(3)15-17(5)11(14)4/h9,12-13,16H,7-8H2,1-6H3/t12-,13+/m0/s1
InChIKeySTMVMDNJNNKFEF-QWHCGFSZSA-N
MW378.52 g/mol
LogP0.23
Rot. Bonds5

About N-[(3S,4R)-4-propan-2-yl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanesulfonamide

N-[(3S,4R)-4-propan-2-yl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanesulfonamide (PubChem CID 70742820) has the molecular formula C14H26N4O4S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-[(3S,4R)-4-propan-2-yl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-propan-2-yl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanesulfonamide
PubChem CID70742820
Molecular FormulaC14H26N4O4S2
Molecular Weight378.52 g/mol
Exact Mass378.14
IUPAC NameN-[(3S,4R)-4-propan-2-yl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanesulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1C[C@@H](NS(C)(=O)=O)[C@H](C(C)C)C1
InChIInChI=1S/C14H26N4O4S2/c1-9(2)12-7-18(8-13(12)16-23(6,19)20)24(21,22)14-10(3)15-17(5)11(14)4/h9,12-13,16H,7-8H2,1-6H3/t12-,13+/m0/s1
InChIKeySTMVMDNJNNKFEF-QWHCGFSZSA-N
XLogP0.23
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-propan-2-yl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(3S,4R)-4-propan-2-yl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanesulfonamide (CID 70742820) is N-[(3S,4R)-4-propan-2-yl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3S,4R)-4-propan-2-yl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3S,4R)-4-propan-2-yl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanesulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)N1C[C@@H](NS(C)(=O)=O)[C@H](C(C)C)C1.
What is the InChIKey of N-[(3S,4R)-4-propan-2-yl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanesulfonamide?
The InChIKey is STMVMDNJNNKFEF-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H26N4O4S2/c1-9(2)12-7-18(8-13(12)16-23(6,19)20)24(21,22)14-10(3)15-17(5)11(14)4/h9,12-13,16H,7-8H2,1-6H3/t12-,13+/m0/s1.
What are the key properties of N-[(3S,4R)-4-propan-2-yl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanesulfonamide?
N-[(3S,4R)-4-propan-2-yl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanesulfonamide has a molecular weight of 378.52 g/mol, XLogP of 0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-propan-2-yl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 70742820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).