N,N,3,5-tetramethyl-1-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]pyrazole-4-sulfonamide

C16H24N4O2S2 — CID 9244835

IUPACN,N,3,5-tetramethyl-1-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]pyrazole-4-sulfonamide
SMILESCc1nn(CN2CCC[C@H]2c2cccs2)c(C)c1S(=O)(=O)N(C)C
InChIInChI=1S/C16H24N4O2S2/c1-12-16(24(21,22)18(3)4)13(2)20(17-12)11-19-9-5-7-14(19)15-8-6-10-23-15/h6,8,10,14H,5,7,9,11H2,1-4H3/t14-/m0/s1
InChIKeyWOARUOFSAKEHIA-AWEZNQCLSA-N
MW368.53 g/mol
LogP2.61
Rot. Bonds5

About N,N,3,5-tetramethyl-1-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]pyrazole-4-sulfonamide

N,N,3,5-tetramethyl-1-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]pyrazole-4-sulfonamide (PubChem CID 9244835) has the molecular formula C16H24N4O2S2 and a molecular weight of 368.53 g/mol. Its IUPAC name is N,N,3,5-tetramethyl-1-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN,N,3,5-tetramethyl-1-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]pyrazole-4-sulfonamide
PubChem CID9244835
Molecular FormulaC16H24N4O2S2
Molecular Weight368.53 g/mol
Exact Mass368.13
IUPAC NameN,N,3,5-tetramethyl-1-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]pyrazole-4-sulfonamide
SMILESCc1nn(CN2CCC[C@H]2c2cccs2)c(C)c1S(=O)(=O)N(C)C
InChIInChI=1S/C16H24N4O2S2/c1-12-16(24(21,22)18(3)4)13(2)20(17-12)11-19-9-5-7-14(19)15-8-6-10-23-15/h6,8,10,14H,5,7,9,11H2,1-4H3/t14-/m0/s1
InChIKeyWOARUOFSAKEHIA-AWEZNQCLSA-N
XLogP2.61
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-thiophen-2-yl-4-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]tetrazol-5-one
CID 9245005
1-propyl-3-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]imidazolidine-2,4,5-trione
CID 18093199
1-(2-methylpropyl)-3-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]imidazolidine-2,4,5-trione
CID 18170819
1-(2-methylpropyl)-2-thiophen-2-ylpyrrolidine
CID 102544356
1-(4-methylphenyl)-3-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4,5-trione
CID 9244879
methyl 3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanoate
CID 94488312
3-[4-methyl-5-sulfanylidene-1-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]-1,2,4-triazol-3-yl]propanamide
CID 9244902
4-ethyl-5-(furan-2-yl)-2-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]-1,2,4-triazole-3-thione
CID 17439223
1-(3-chlorophenyl)-4-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]tetrazole-5-thione
CID 9244747
1-ethyl-3-methyl-4-nitro-5-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]pyrazole
CID 124628538
1-butyl-2-thiophen-2-ylpyrrolidine
CID 102544357
(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 66124659

Frequently Asked Questions

What is the IUPAC name of N,N,3,5-tetramethyl-1-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]pyrazole-4-sulfonamide?
The IUPAC name of N,N,3,5-tetramethyl-1-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]pyrazole-4-sulfonamide (CID 9244835) is N,N,3,5-tetramethyl-1-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for N,N,3,5-tetramethyl-1-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]pyrazole-4-sulfonamide?
The canonical SMILES for N,N,3,5-tetramethyl-1-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]pyrazole-4-sulfonamide is Cc1nn(CN2CCC[C@H]2c2cccs2)c(C)c1S(=O)(=O)N(C)C.
What is the InChIKey of N,N,3,5-tetramethyl-1-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]pyrazole-4-sulfonamide?
The InChIKey is WOARUOFSAKEHIA-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H24N4O2S2/c1-12-16(24(21,22)18(3)4)13(2)20(17-12)11-19-9-5-7-14(19)15-8-6-10-23-15/h6,8,10,14H,5,7,9,11H2,1-4H3/t14-/m0/s1.
What are the key properties of N,N,3,5-tetramethyl-1-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]pyrazole-4-sulfonamide?
N,N,3,5-tetramethyl-1-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]pyrazole-4-sulfonamide has a molecular weight of 368.53 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3,5-tetramethyl-1-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 9244835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).