1-ethyl-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-3-methylpyrazole-4-sulfonamide

C13H24N4O2S — CID 95226625

IUPAC1-ethyl-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-3-methylpyrazole-4-sulfonamide
SMILESCCN1CC[C@H](CNS(=O)(=O)c2cn(CC)nc2C)C1
InChIInChI=1S/C13H24N4O2S/c1-4-16-7-6-12(9-16)8-14-20(18,19)13-10-17(5-2)15-11(13)3/h10,12,14H,4-9H2,1-3H3/t12-/m1/s1
InChIKeyYQDPIQFHGWHAMQ-GFCCVEGCSA-N
MW300.43 g/mol
LogP0.83
Rot. Bonds6

About 1-ethyl-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-3-methylpyrazole-4-sulfonamide

1-ethyl-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-3-methylpyrazole-4-sulfonamide (PubChem CID 95226625) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is 1-ethyl-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-3-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-3-methylpyrazole-4-sulfonamide
PubChem CID95226625
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC Name1-ethyl-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-3-methylpyrazole-4-sulfonamide
SMILESCCN1CC[C@H](CNS(=O)(=O)c2cn(CC)nc2C)C1
InChIInChI=1S/C13H24N4O2S/c1-4-16-7-6-12(9-16)8-14-20(18,19)13-10-17(5-2)15-11(13)3/h10,12,14H,4-9H2,1-3H3/t12-/m1/s1
InChIKeyYQDPIQFHGWHAMQ-GFCCVEGCSA-N
XLogP0.83
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-1-ethyl-3-methylpyrazole-4-sulfonamide
CID 19681075
3-amino-5-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-methylbenzenesulfonamide
CID 114379022
N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146211909
4-(ethylamino)-N-[(1-ethylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 62146860
5-bromo-2-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide
CID 61059517
2-amino-5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide
CID 62147918
1-ethyl-N,3-dimethylpyrazole-4-sulfonamide
CID 19684304
2-amino-4-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 60856671
N-cycloheptyl-1-ethyl-3-methylpyrazole-4-sulfonamide
CID 19581844
1-ethyl-3-methyl-N-prop-2-enylpyrazole-4-sulfonamide
CID 19681806
1-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-3-methylpyrazole-4-sulfonamide
CID 22209538
3-amino-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-4-sulfonamide
CID 63242904

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-3-methylpyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-3-methylpyrazole-4-sulfonamide (CID 95226625) is 1-ethyl-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-3-methylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-3-methylpyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-3-methylpyrazole-4-sulfonamide is CCN1CC[C@H](CNS(=O)(=O)c2cn(CC)nc2C)C1.
What is the InChIKey of 1-ethyl-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-3-methylpyrazole-4-sulfonamide?
The InChIKey is YQDPIQFHGWHAMQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-4-16-7-6-12(9-16)8-14-20(18,19)13-10-17(5-2)15-11(13)3/h10,12,14H,4-9H2,1-3H3/t12-/m1/s1.
What are the key properties of 1-ethyl-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-3-methylpyrazole-4-sulfonamide?
1-ethyl-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-3-methylpyrazole-4-sulfonamide has a molecular weight of 300.43 g/mol, XLogP of 0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-3-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 95226625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).