1-[1-[2-methyl-5-(5-methyl-1H-pyrazol-3-yl)thiophen-3-yl]sulfonylpyrrolidin-2-yl]cyclopropan-1-ol

C16H21N3O3S2 — CID 138385368

IUPAC1-[1-[2-methyl-5-(5-methyl-1H-pyrazol-3-yl)thiophen-3-yl]sulfonylpyrrolidin-2-yl]cyclopropan-1-ol
SMILESCc1cc(-c2cc(S(=O)(=O)N3CCCC3C3(O)CC3)c(C)s2)n[nH]1
InChIInChI=1S/C16H21N3O3S2/c1-10-8-12(18-17-10)13-9-14(11(2)23-13)24(21,22)19-7-3-4-15(19)16(20)5-6-16/h8-9,15,20H,3-7H2,1-2H3,(H,17,18)
InChIKeySQFOTKXAHRPEGZ-UHFFFAOYSA-N
MW367.50 g/mol
LogP2.43
Rot. Bonds4

About 1-[1-[2-methyl-5-(5-methyl-1H-pyrazol-3-yl)thiophen-3-yl]sulfonylpyrrolidin-2-yl]cyclopropan-1-ol

1-[1-[2-methyl-5-(5-methyl-1H-pyrazol-3-yl)thiophen-3-yl]sulfonylpyrrolidin-2-yl]cyclopropan-1-ol (PubChem CID 138385368) has the molecular formula C16H21N3O3S2 and a molecular weight of 367.50 g/mol. Its IUPAC name is 1-[1-[2-methyl-5-(5-methyl-1H-pyrazol-3-yl)thiophen-3-yl]sulfonylpyrrolidin-2-yl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[1-[2-methyl-5-(5-methyl-1H-pyrazol-3-yl)thiophen-3-yl]sulfonylpyrrolidin-2-yl]cyclopropan-1-ol
PubChem CID138385368
Molecular FormulaC16H21N3O3S2
Molecular Weight367.50 g/mol
Exact Mass367.10
IUPAC Name1-[1-[2-methyl-5-(5-methyl-1H-pyrazol-3-yl)thiophen-3-yl]sulfonylpyrrolidin-2-yl]cyclopropan-1-ol
SMILESCc1cc(-c2cc(S(=O)(=O)N3CCCC3C3(O)CC3)c(C)s2)n[nH]1
InChIInChI=1S/C16H21N3O3S2/c1-10-8-12(18-17-10)13-9-14(11(2)23-13)24(21,22)19-7-3-4-15(19)16(20)5-6-16/h8-9,15,20H,3-7H2,1-2H3,(H,17,18)
InChIKeySQFOTKXAHRPEGZ-UHFFFAOYSA-N
XLogP2.43
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 52.43
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
4-cyclopropyl-1-[2-methyl-5-(5-methyl-1H-pyrazol-3-yl)thiophen-3-yl]sulfonylpyrrolidin-3-amine
CID 156604414
1-[2-(4-chlorophenoxy)ethyl]-4-[2-methyl-5-(5-methyl-1H-pyrazol-3-yl)thiophen-3-yl]sulfonylpiperazine
CID 53138871
4-(2,3-dimethylpiperidin-1-yl)sulfonyl-5-methylthiophene-2-carboxylic acid
CID 63328876
3-methyl-5-[5-methyl-4-(2-methylpiperidin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole
CID 53079270
6-[4-(2-ethylpiperidin-1-yl)sulfonyl-5-methylthiophen-2-yl]-2-methylpyridazin-3-one
CID 50842583
N-cyclohexyl-N,2-dimethyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide
CID 46396414
1-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-4-piperidin-1-ylpiperidine
CID 20947463
4-(2-carbamoylpyrrolidin-1-yl)sulfonyl-5-methylthiophene-2-carboxylic acid
CID 63328505
1-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]cyclopropan-1-ol
CID 101413142
2-(5-methyl-1H-pyrazol-3-yl)-4-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyridine
CID 124959185
2-(5-methyl-1H-pyrazol-3-yl)-4-(1-methylsulfonylpyrrolidin-2-yl)pyridine
CID 110102004

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-methyl-5-(5-methyl-1H-pyrazol-3-yl)thiophen-3-yl]sulfonylpyrrolidin-2-yl]cyclopropan-1-ol?
The IUPAC name of 1-[1-[2-methyl-5-(5-methyl-1H-pyrazol-3-yl)thiophen-3-yl]sulfonylpyrrolidin-2-yl]cyclopropan-1-ol (CID 138385368) is 1-[1-[2-methyl-5-(5-methyl-1H-pyrazol-3-yl)thiophen-3-yl]sulfonylpyrrolidin-2-yl]cyclopropan-1-ol.
What is the SMILES notation for 1-[1-[2-methyl-5-(5-methyl-1H-pyrazol-3-yl)thiophen-3-yl]sulfonylpyrrolidin-2-yl]cyclopropan-1-ol?
The canonical SMILES for 1-[1-[2-methyl-5-(5-methyl-1H-pyrazol-3-yl)thiophen-3-yl]sulfonylpyrrolidin-2-yl]cyclopropan-1-ol is Cc1cc(-c2cc(S(=O)(=O)N3CCCC3C3(O)CC3)c(C)s2)n[nH]1.
What is the InChIKey of 1-[1-[2-methyl-5-(5-methyl-1H-pyrazol-3-yl)thiophen-3-yl]sulfonylpyrrolidin-2-yl]cyclopropan-1-ol?
The InChIKey is SQFOTKXAHRPEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S2/c1-10-8-12(18-17-10)13-9-14(11(2)23-13)24(21,22)19-7-3-4-15(19)16(20)5-6-16/h8-9,15,20H,3-7H2,1-2H3,(H,17,18).
What are the key properties of 1-[1-[2-methyl-5-(5-methyl-1H-pyrazol-3-yl)thiophen-3-yl]sulfonylpyrrolidin-2-yl]cyclopropan-1-ol?
1-[1-[2-methyl-5-(5-methyl-1H-pyrazol-3-yl)thiophen-3-yl]sulfonylpyrrolidin-2-yl]cyclopropan-1-ol has a molecular weight of 367.50 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-methyl-5-(5-methyl-1H-pyrazol-3-yl)thiophen-3-yl]sulfonylpyrrolidin-2-yl]cyclopropan-1-ol is sourced from PubChem (CID 138385368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).