trans-(1S,2S)-2-[[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonylamino]cyclopentane-1-carboxamide

C15H23N3O4S — CID 124860154

IUPACtrans-(1S,2S)-2-[[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonylamino]cyclopentane-1-carboxamide
SMILESCc1ccc([C@@H]2CCCN2S(=O)(=O)N[C@H]2CCC[C@@H]2C(N)=O)o1
InChIInChI=1S/C15H23N3O4S/c1-10-7-8-14(22-10)13-6-3-9-18(13)23(20,21)17-12-5-2-4-11(12)15(16)19/h7-8,11-13,17H,2-6,9H2,1H3,(H2,16,19)/t11-,12-,13-/m0/s1
InChIKeyXWAKLPIXKBVFIU-AVGNSLFASA-N
MW341.43 g/mol
LogP1.21
Rot. Bonds5

About trans-(1S,2S)-2-[[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonylamino]cyclopentane-1-carboxamide

trans-(1S,2S)-2-[[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonylamino]cyclopentane-1-carboxamide (PubChem CID 124860154) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is trans-(1S,2S)-2-[[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonylamino]cyclopentane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonylamino]cyclopentane-1-carboxamide
PubChem CID124860154
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Nametrans-(1S,2S)-2-[[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonylamino]cyclopentane-1-carboxamide
SMILESCc1ccc([C@@H]2CCCN2S(=O)(=O)N[C@H]2CCC[C@@H]2C(N)=O)o1
InChIInChI=1S/C15H23N3O4S/c1-10-7-8-14(22-10)13-6-3-9-18(13)23(20,21)17-12-5-2-4-11(12)15(16)19/h7-8,11-13,17H,2-6,9H2,1H3,(H2,16,19)/t11-,12-,13-/m0/s1
InChIKeyXWAKLPIXKBVFIU-AVGNSLFASA-N
XLogP1.21
TPSA105.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(5-methylfuran-2-yl)-1-methylsulfonylpyrrolidine
CID 95770649
(2S)-2-(5-methylfuran-2-yl)-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-sulfonamide
CID 98785030
5-methyl-4-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole
CID 95770643
2-[(5-methylfuran-2-yl)methylamino]cyclopentane-1-carboxamide
CID 115977131
N'-hydroxy-2-[(2-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carboximidamide
CID 76978346
(3aS,7aS)-2-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonyl-1,3,3a,4,7,7a-hexahydroisoindole
CID 98775014
(3aR,7aS)-2-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonyl-1,3,3a,4,7,7a-hexahydroisoindole
CID 96511044
2-(5-methylfuran-2-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-1-sulfonamide
CID 71873038
2-(5-methylfuran-2-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidine-1-sulfonamide
CID 71873051
2-[(2-methylpiperidin-1-yl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 64817232
(2R)-2-(5-methylfuran-2-yl)-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrrolidine-1-sulfonamide
CID 97006667
1-methyl-4-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonylpyrazole
CID 95770651

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonylamino]cyclopentane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-2-[[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonylamino]cyclopentane-1-carboxamide (CID 124860154) is trans-(1S,2S)-2-[[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonylamino]cyclopentane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-2-[[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonylamino]cyclopentane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-2-[[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonylamino]cyclopentane-1-carboxamide is Cc1ccc([C@@H]2CCCN2S(=O)(=O)N[C@H]2CCC[C@@H]2C(N)=O)o1.
What is the InChIKey of trans-(1S,2S)-2-[[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonylamino]cyclopentane-1-carboxamide?
The InChIKey is XWAKLPIXKBVFIU-AVGNSLFASA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-10-7-8-14(22-10)13-6-3-9-18(13)23(20,21)17-12-5-2-4-11(12)15(16)19/h7-8,11-13,17H,2-6,9H2,1H3,(H2,16,19)/t11-,12-,13-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonylamino]cyclopentane-1-carboxamide?
trans-(1S,2S)-2-[[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonylamino]cyclopentane-1-carboxamide has a molecular weight of 341.43 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonylamino]cyclopentane-1-carboxamide is sourced from PubChem (CID 124860154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).