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

C16H27N3O4S — CID 72929865

IUPACN-[(3R,4S)-4-(5-methylfuran-2-yl)-1-propan-2-ylpyrrolidin-3-yl]morpholine-4-sulfonamide
SMILESCc1ccc([C@H]2CN(C(C)C)C[C@@H]2NS(=O)(=O)N2CCOCC2)o1
InChIInChI=1S/C16H27N3O4S/c1-12(2)18-10-14(16-5-4-13(3)23-16)15(11-18)17-24(20,21)19-6-8-22-9-7-19/h4-5,12,14-15,17H,6-11H2,1-3H3/t14-,15-/m0/s1
InChIKeyVDDKEYWBRRAJRF-GJZGRUSLSA-N
MW357.48 g/mol
LogP0.93
Rot. Bonds5

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

N-[(3R,4S)-4-(5-methylfuran-2-yl)-1-propan-2-ylpyrrolidin-3-yl]morpholine-4-sulfonamide (PubChem CID 72929865) has the molecular formula C16H27N3O4S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-[(3R,4S)-4-(5-methylfuran-2-yl)-1-propan-2-ylpyrrolidin-3-yl]morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-(5-methylfuran-2-yl)-1-propan-2-ylpyrrolidin-3-yl]morpholine-4-sulfonamide
PubChem CID72929865
Molecular FormulaC16H27N3O4S
Molecular Weight357.48 g/mol
Exact Mass357.17
IUPAC NameN-[(3R,4S)-4-(5-methylfuran-2-yl)-1-propan-2-ylpyrrolidin-3-yl]morpholine-4-sulfonamide
SMILESCc1ccc([C@H]2CN(C(C)C)C[C@@H]2NS(=O)(=O)N2CCOCC2)o1
InChIInChI=1S/C16H27N3O4S/c1-12(2)18-10-14(16-5-4-13(3)23-16)15(11-18)17-24(20,21)19-6-8-22-9-7-19/h4-5,12,14-15,17H,6-11H2,1-3H3/t14-,15-/m0/s1
InChIKeyVDDKEYWBRRAJRF-GJZGRUSLSA-N
XLogP0.93
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(furan-2-yl)propan-2-yl]-4-methylpiperidine-1-sulfonamide
CID 45814024
(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-[(3R*,4S*)-1-acetyl-4-(5-methyl-2-furyl)-3-pyrrolidinyl]-1-pyrrolidinesulfonamide
CID 72908341
1-[(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-cyclobutylethanone
CID 72937422
(3R,4S)-1-(4-methoxypiperidin-1-yl)sulfonyl-4-(5-methylfuran-2-yl)pyrrolidin-3-amine
CID 72885506
N-[(3S*,4R*)-4-(5-methyl-2-furyl)-1-(4-morpholinylsulfonyl)-3-pyrrolidinyl]acetamide
CID 70740280
3-{2-[(3R*,4S*)-3-amino-4-(5-methyl-2-furyl)pyrrolidin-1-yl]-2-oxoethyl}-1,3-oxazolidin-2-one
CID 72846130

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-(5-methylfuran-2-yl)-1-propan-2-ylpyrrolidin-3-yl]morpholine-4-sulfonamide?
The IUPAC name of N-[(3R,4S)-4-(5-methylfuran-2-yl)-1-propan-2-ylpyrrolidin-3-yl]morpholine-4-sulfonamide (CID 72929865) is N-[(3R,4S)-4-(5-methylfuran-2-yl)-1-propan-2-ylpyrrolidin-3-yl]morpholine-4-sulfonamide.
What is the SMILES notation for N-[(3R,4S)-4-(5-methylfuran-2-yl)-1-propan-2-ylpyrrolidin-3-yl]morpholine-4-sulfonamide?
The canonical SMILES for N-[(3R,4S)-4-(5-methylfuran-2-yl)-1-propan-2-ylpyrrolidin-3-yl]morpholine-4-sulfonamide is Cc1ccc([C@H]2CN(C(C)C)C[C@@H]2NS(=O)(=O)N2CCOCC2)o1.
What is the InChIKey of N-[(3R,4S)-4-(5-methylfuran-2-yl)-1-propan-2-ylpyrrolidin-3-yl]morpholine-4-sulfonamide?
The InChIKey is VDDKEYWBRRAJRF-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H27N3O4S/c1-12(2)18-10-14(16-5-4-13(3)23-16)15(11-18)17-24(20,21)19-6-8-22-9-7-19/h4-5,12,14-15,17H,6-11H2,1-3H3/t14-,15-/m0/s1.
What are the key properties of N-[(3R,4S)-4-(5-methylfuran-2-yl)-1-propan-2-ylpyrrolidin-3-yl]morpholine-4-sulfonamide?
N-[(3R,4S)-4-(5-methylfuran-2-yl)-1-propan-2-ylpyrrolidin-3-yl]morpholine-4-sulfonamide has a molecular weight of 357.48 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-(5-methylfuran-2-yl)-1-propan-2-ylpyrrolidin-3-yl]morpholine-4-sulfonamide is sourced from PubChem (CID 72929865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).