4-cyclopropyl-1-[2-methyl-5-(5-methyl-1H-pyrazol-3-yl)thiophen-3-yl]sulfonylpyrrolidin-3-amine

C16H22N4O2S2 — CID 156604414

IUPAC4-cyclopropyl-1-[2-methyl-5-(5-methyl-1H-pyrazol-3-yl)thiophen-3-yl]sulfonylpyrrolidin-3-amine
SMILESCc1cc(-c2cc(S(=O)(=O)N3CC(N)C(C4CC4)C3)c(C)s2)n[nH]1
InChIInChI=1S/C16H22N4O2S2/c1-9-5-14(19-18-9)15-6-16(10(2)23-15)24(21,22)20-7-12(11-3-4-11)13(17)8-20/h5-6,11-13H,3-4,7-8,17H2,1-2H3,(H,18,19)
InChIKeyUXGHMRWJCXDMBD-UHFFFAOYSA-N
MW366.51 g/mol
LogP2.11
Rot. Bonds4

About 4-cyclopropyl-1-[2-methyl-5-(5-methyl-1H-pyrazol-3-yl)thiophen-3-yl]sulfonylpyrrolidin-3-amine

4-cyclopropyl-1-[2-methyl-5-(5-methyl-1H-pyrazol-3-yl)thiophen-3-yl]sulfonylpyrrolidin-3-amine (PubChem CID 156604414) has the molecular formula C16H22N4O2S2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 4-cyclopropyl-1-[2-methyl-5-(5-methyl-1H-pyrazol-3-yl)thiophen-3-yl]sulfonylpyrrolidin-3-amine.

Molecular Properties

Compound Name4-cyclopropyl-1-[2-methyl-5-(5-methyl-1H-pyrazol-3-yl)thiophen-3-yl]sulfonylpyrrolidin-3-amine
PubChem CID156604414
Molecular FormulaC16H22N4O2S2
Molecular Weight366.51 g/mol
Exact Mass366.12
IUPAC Name4-cyclopropyl-1-[2-methyl-5-(5-methyl-1H-pyrazol-3-yl)thiophen-3-yl]sulfonylpyrrolidin-3-amine
SMILESCc1cc(-c2cc(S(=O)(=O)N3CC(N)C(C4CC4)C3)c(C)s2)n[nH]1
InChIInChI=1S/C16H22N4O2S2/c1-9-5-14(19-18-9)15-6-16(10(2)23-15)24(21,22)20-7-12(11-3-4-11)13(17)8-20/h5-6,11-13H,3-4,7-8,17H2,1-2H3,(H,18,19)
InChIKeyUXGHMRWJCXDMBD-UHFFFAOYSA-N
XLogP2.11
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cycloheptyl-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)thiophene-3-sulfonamide
CID 53138840
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CID 138385368
1-[2-(4-chlorophenoxy)ethyl]-4-[2-methyl-5-(5-methyl-1H-pyrazol-3-yl)thiophen-3-yl]sulfonylpiperazine
CID 53138871
5-[(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione
CID 133118862
(3S,4R)-1-(2,5-dimethylthiophen-3-yl)sulfonyl-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120767198
4-cyclopropyl-1-(2-methoxy-5-pyrazol-1-ylphenyl)sulfonylpyrrolidin-3-amine
CID 156607270
2-(5-chloro-4-methylthiophen-2-yl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine;hydrochloride
CID 120712849
4-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine
CID 103576385
(3aR,7aS)-2-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine
CID 61142846
1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidin-4-amine
CID 43556372
1-(2,5-dimethylthiophen-3-yl)sulfonyl-3,5-dimethylpiperazine
CID 63874056
5-(2,5-dimethylthiophen-3-yl)sulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66210855

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-1-[2-methyl-5-(5-methyl-1H-pyrazol-3-yl)thiophen-3-yl]sulfonylpyrrolidin-3-amine?
The IUPAC name of 4-cyclopropyl-1-[2-methyl-5-(5-methyl-1H-pyrazol-3-yl)thiophen-3-yl]sulfonylpyrrolidin-3-amine (CID 156604414) is 4-cyclopropyl-1-[2-methyl-5-(5-methyl-1H-pyrazol-3-yl)thiophen-3-yl]sulfonylpyrrolidin-3-amine.
What is the SMILES notation for 4-cyclopropyl-1-[2-methyl-5-(5-methyl-1H-pyrazol-3-yl)thiophen-3-yl]sulfonylpyrrolidin-3-amine?
The canonical SMILES for 4-cyclopropyl-1-[2-methyl-5-(5-methyl-1H-pyrazol-3-yl)thiophen-3-yl]sulfonylpyrrolidin-3-amine is Cc1cc(-c2cc(S(=O)(=O)N3CC(N)C(C4CC4)C3)c(C)s2)n[nH]1.
What is the InChIKey of 4-cyclopropyl-1-[2-methyl-5-(5-methyl-1H-pyrazol-3-yl)thiophen-3-yl]sulfonylpyrrolidin-3-amine?
The InChIKey is UXGHMRWJCXDMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S2/c1-9-5-14(19-18-9)15-6-16(10(2)23-15)24(21,22)20-7-12(11-3-4-11)13(17)8-20/h5-6,11-13H,3-4,7-8,17H2,1-2H3,(H,18,19).
What are the key properties of 4-cyclopropyl-1-[2-methyl-5-(5-methyl-1H-pyrazol-3-yl)thiophen-3-yl]sulfonylpyrrolidin-3-amine?
4-cyclopropyl-1-[2-methyl-5-(5-methyl-1H-pyrazol-3-yl)thiophen-3-yl]sulfonylpyrrolidin-3-amine has a molecular weight of 366.51 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-1-[2-methyl-5-(5-methyl-1H-pyrazol-3-yl)thiophen-3-yl]sulfonylpyrrolidin-3-amine is sourced from PubChem (CID 156604414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).