N-[(3R,4S)-1-acetyl-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]pyrrolidine-1-sulfonamide

C15H23N3O4S — CID 72908341

IUPACN-[(3R,4S)-1-acetyl-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]pyrrolidine-1-sulfonamide
SMILESCC(=O)N1C[C@H](NS(=O)(=O)N2CCCC2)[C@@H](c2ccc(C)o2)C1
InChIInChI=1S/C15H23N3O4S/c1-11-5-6-15(22-11)13-9-17(12(2)19)10-14(13)16-23(20,21)18-7-3-4-8-18/h5-6,13-14,16H,3-4,7-10H2,1-2H3/t13-,14-/m0/s1
InChIKeyYSGPYJLAGSEGJN-KBPBESRZSA-N
MW341.43 g/mol
LogP0.83
Rot. Bonds4

About N-[(3R,4S)-1-acetyl-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]pyrrolidine-1-sulfonamide

N-[(3R,4S)-1-acetyl-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]pyrrolidine-1-sulfonamide (PubChem CID 72908341) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is N-[(3R,4S)-1-acetyl-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-[(3R,4S)-1-acetyl-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]pyrrolidine-1-sulfonamide
PubChem CID72908341
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC NameN-[(3R,4S)-1-acetyl-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]pyrrolidine-1-sulfonamide
SMILESCC(=O)N1C[C@H](NS(=O)(=O)N2CCCC2)[C@@H](c2ccc(C)o2)C1
InChIInChI=1S/C15H23N3O4S/c1-11-5-6-15(22-11)13-9-17(12(2)19)10-14(13)16-23(20,21)18-7-3-4-8-18/h5-6,13-14,16H,3-4,7-10H2,1-2H3/t13-,14-/m0/s1
InChIKeyYSGPYJLAGSEGJN-KBPBESRZSA-N
XLogP0.83
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(Furan-2-yl)-2-oxopyrrolidin-1-yl]butanamide
CID 9921054
N-{(3S*,4R*)-1-[3-(2-furyl)propanoyl]-4-propyl-3-pyrrolidinyl}methanesulfonamide
CID 70772487
N-[(3S*,4R*)-1-(2,4-difluorobenzyl)-4-(5-methyl-2-furyl)-3-pyrrolidinyl]acetamide
CID 70773384
(3S*,4R*)-3-(acetylamino)-N-ethyl-4-(5-methyl-2-furyl)-1-pyrrolidinecarboxamide
CID 70778148
1-[(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-methylsulfanylethanone
CID 72842256
3-methoxy-N-[rel-(3R,4S)-1-[(2E)-2-methyl-2-buten-1-yl]-4-(5-methyl-2-furyl)-3-pyrrolidinyl]propanamide hydrochloride
CID 72858248
N-[(3R*,4S*)-1-(2-hydroxyethyl)-4-(5-methyl-2-furyl)-3-pyrrolidinyl]-2-(2-oxo-1-piperidinyl)acetamide
CID 72863207
[(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-cyclobutylmethanone
CID 72864774
N-[(3R*,4S*)-1-acetyl-4-(5-methyl-2-furyl)-3-pyrrolidinyl]-4-morpholinesulfonamide
CID 72881633
N-[(3S*,4R*)-1-(2,5-dimethyl-3-furoyl)-4-(5-methyl-2-furyl)pyrrolidin-3-yl]acetamide
CID 72885353
N-[(3R,4S)-4-cyclopropyl-1-[3-(furan-2-yl)propanoyl]pyrrolidin-3-yl]methanesulfonamide
CID 72910148
N-[rel-(3R,4S)-1-isopropyl-4-(5-methyl-2-furyl)-3-pyrrolidinyl]-4-morpholinesulfonamide hydrochloride
CID 72929865

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1-acetyl-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]pyrrolidine-1-sulfonamide?
The IUPAC name of N-[(3R,4S)-1-acetyl-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]pyrrolidine-1-sulfonamide (CID 72908341) is N-[(3R,4S)-1-acetyl-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-[(3R,4S)-1-acetyl-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N-[(3R,4S)-1-acetyl-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]pyrrolidine-1-sulfonamide is CC(=O)N1C[C@H](NS(=O)(=O)N2CCCC2)[C@@H](c2ccc(C)o2)C1.
What is the InChIKey of N-[(3R,4S)-1-acetyl-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]pyrrolidine-1-sulfonamide?
The InChIKey is YSGPYJLAGSEGJN-KBPBESRZSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-11-5-6-15(22-11)13-9-17(12(2)19)10-14(13)16-23(20,21)18-7-3-4-8-18/h5-6,13-14,16H,3-4,7-10H2,1-2H3/t13-,14-/m0/s1.
What are the key properties of N-[(3R,4S)-1-acetyl-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]pyrrolidine-1-sulfonamide?
N-[(3R,4S)-1-acetyl-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]pyrrolidine-1-sulfonamide has a molecular weight of 341.43 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-1-acetyl-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 72908341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).