N-[[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide

C14H20N4O2S2 — CID 56760043

IUPACN-[[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide
SMILESCn1cc(CN2CCC(CNS(=O)(=O)c3cccs3)C2)cn1
InChIInChI=1S/C14H20N4O2S2/c1-17-9-13(7-15-17)11-18-5-4-12(10-18)8-16-22(19,20)14-3-2-6-21-14/h2-3,6-7,9,12,16H,4-5,8,10-11H2,1H3
InChIKeyBMMAYAYJEGLZEQ-UHFFFAOYSA-N
MW340.47 g/mol
LogP1.28
Rot. Bonds6

About N-[[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide

N-[[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide (PubChem CID 56760043) has the molecular formula C14H20N4O2S2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide
PubChem CID56760043
Molecular FormulaC14H20N4O2S2
Molecular Weight340.47 g/mol
Exact Mass340.10
IUPAC NameN-[[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide
SMILESCn1cc(CN2CCC(CNS(=O)(=O)c3cccs3)C2)cn1
InChIInChI=1S/C14H20N4O2S2/c1-17-9-13(7-15-17)11-18-5-4-12(10-18)8-16-22(19,20)14-3-2-6-21-14/h2-3,6-7,9,12,16H,4-5,8,10-11H2,1H3
InChIKeyBMMAYAYJEGLZEQ-UHFFFAOYSA-N
XLogP1.28
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-methylpiperidin-3-yl)methyl]thiophene-2-sulfonamide
CID 142818973
4-methoxy-N-[[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]benzenesulfonamide
CID 25304086
N-[[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide
CID 42404413
2-methyl-N-[[(3S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 95216925
N,N-dimethyl-4-[(thiophen-2-ylsulfonylamino)methyl]piperidine-1-sulfonamide
CID 131702793
N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]thiophene-2-sulfonamide
CID 110737130
N-[[(3R)-1-(4-methylpiperazine-1-carbonyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide
CID 97274825
N-[(4-hydroxycyclohexyl)methyl]thiophene-2-sulfonamide
CID 114147059
N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide
CID 90521136
N-[2-(4-benzylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide
CID 34247451
N-[(3-hydroxycyclobutyl)methyl]thiophene-2-sulfonamide
CID 66006317
N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)acetamide
CID 60556582

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide (CID 56760043) is N-[[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide is Cn1cc(CN2CCC(CNS(=O)(=O)c3cccs3)C2)cn1.
What is the InChIKey of N-[[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide?
The InChIKey is BMMAYAYJEGLZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S2/c1-17-9-13(7-15-17)11-18-5-4-12(10-18)8-16-22(19,20)14-3-2-6-21-14/h2-3,6-7,9,12,16H,4-5,8,10-11H2,1H3.
What are the key properties of N-[[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide?
N-[[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide has a molecular weight of 340.47 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 56760043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).