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

C15H23N3O5S — CID 72881633

IUPACN-[(3R,4S)-1-acetyl-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]morpholine-4-sulfonamide
SMILESCC(=O)N1C[C@H](NS(=O)(=O)N2CCOCC2)[C@@H](c2ccc(C)o2)C1
InChIInChI=1S/C15H23N3O5S/c1-11-3-4-15(23-11)13-9-17(12(2)19)10-14(13)16-24(20,21)18-5-7-22-8-6-18/h3-4,13-14,16H,5-10H2,1-2H3/t13-,14-/m0/s1
InChIKeyOYHGTJZEFBJOAL-KBPBESRZSA-N
MW357.43 g/mol
LogP0.07
Rot. Bonds4

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

N-[(3R,4S)-1-acetyl-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]morpholine-4-sulfonamide (PubChem CID 72881633) has the molecular formula C15H23N3O5S and a molecular weight of 357.43 g/mol. Its IUPAC name is N-[(3R,4S)-1-acetyl-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-[(3R,4S)-1-acetyl-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]morpholine-4-sulfonamide
PubChem CID72881633
Molecular FormulaC15H23N3O5S
Molecular Weight357.43 g/mol
Exact Mass357.14
IUPAC NameN-[(3R,4S)-1-acetyl-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]morpholine-4-sulfonamide
SMILESCC(=O)N1C[C@H](NS(=O)(=O)N2CCOCC2)[C@@H](c2ccc(C)o2)C1
InChIInChI=1S/C15H23N3O5S/c1-11-3-4-15(23-11)13-9-17(12(2)19)10-14(13)16-24(20,21)18-5-7-22-8-6-18/h3-4,13-14,16H,5-10H2,1-2H3/t13-,14-/m0/s1
InChIKeyOYHGTJZEFBJOAL-KBPBESRZSA-N
XLogP0.07
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(Furan-2-yl)-2-oxopyrrolidin-1-yl]butanamide
CID 9921054
2-{4-[(dimethylamino)sulfonyl]-3-morpholinyl}-N-[2-(5-methyl-2-furyl)ethyl]acetamide
CID 56904751
N-[(3S*,4R*)-1-(2-furylmethyl)-4-(5-methyl-2-furyl)-3-pyrrolidinyl]acetamide
CID 70708926
N-{(3S*,4R*)-1-[3-(2-furyl)propanoyl]-4-propyl-3-pyrrolidinyl}methanesulfonamide
CID 70772487
(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]-1-pyrrolidinesulfonamide
CID 72908341
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]morpholine-4-sulfonamide?
The IUPAC name of N-[(3R,4S)-1-acetyl-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]morpholine-4-sulfonamide (CID 72881633) is N-[(3R,4S)-1-acetyl-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]morpholine-4-sulfonamide.
What is the SMILES notation for N-[(3R,4S)-1-acetyl-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]morpholine-4-sulfonamide?
The canonical SMILES for N-[(3R,4S)-1-acetyl-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]morpholine-4-sulfonamide is CC(=O)N1C[C@H](NS(=O)(=O)N2CCOCC2)[C@@H](c2ccc(C)o2)C1.
What is the InChIKey of N-[(3R,4S)-1-acetyl-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]morpholine-4-sulfonamide?
The InChIKey is OYHGTJZEFBJOAL-KBPBESRZSA-N. The full InChI is InChI=1S/C15H23N3O5S/c1-11-3-4-15(23-11)13-9-17(12(2)19)10-14(13)16-24(20,21)18-5-7-22-8-6-18/h3-4,13-14,16H,5-10H2,1-2H3/t13-,14-/m0/s1.
What are the key properties of N-[(3R,4S)-1-acetyl-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]morpholine-4-sulfonamide?
N-[(3R,4S)-1-acetyl-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]morpholine-4-sulfonamide has a molecular weight of 357.43 g/mol, XLogP of 0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 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]morpholine-4-sulfonamide is sourced from PubChem (CID 72881633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).