N-[(3R,4S)-4-(5-methylfuran-2-yl)-1-(oxan-4-yl)pyrrolidin-3-yl]cyclopropanesulfonamide

C17H26N2O4S — CID 72855004

IUPACN-[(3R,4S)-4-(5-methylfuran-2-yl)-1-(oxan-4-yl)pyrrolidin-3-yl]cyclopropanesulfonamide
SMILESCc1ccc([C@H]2CN(C3CCOCC3)C[C@@H]2NS(=O)(=O)C2CC2)o1
InChIInChI=1S/C17H26N2O4S/c1-12-2-5-17(23-12)15-10-19(13-6-8-22-9-7-13)11-16(15)18-24(20,21)14-3-4-14/h2,5,13-16,18H,3-4,6-11H2,1H3/t15-,16-/m0/s1
InChIKeyHBYCLJCUSZPXPX-HOTGVXAUSA-N
MW354.47 g/mol
LogP1.62
Rot. Bonds5

About N-[(3R,4S)-4-(5-methylfuran-2-yl)-1-(oxan-4-yl)pyrrolidin-3-yl]cyclopropanesulfonamide

N-[(3R,4S)-4-(5-methylfuran-2-yl)-1-(oxan-4-yl)pyrrolidin-3-yl]cyclopropanesulfonamide (PubChem CID 72855004) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is N-[(3R,4S)-4-(5-methylfuran-2-yl)-1-(oxan-4-yl)pyrrolidin-3-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-(5-methylfuran-2-yl)-1-(oxan-4-yl)pyrrolidin-3-yl]cyclopropanesulfonamide
PubChem CID72855004
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC NameN-[(3R,4S)-4-(5-methylfuran-2-yl)-1-(oxan-4-yl)pyrrolidin-3-yl]cyclopropanesulfonamide
SMILESCc1ccc([C@H]2CN(C3CCOCC3)C[C@@H]2NS(=O)(=O)C2CC2)o1
InChIInChI=1S/C17H26N2O4S/c1-12-2-5-17(23-12)15-10-19(13-6-8-22-9-7-13)11-16(15)18-24(20,21)14-3-4-14/h2,5,13-16,18H,3-4,6-11H2,1H3/t15-,16-/m0/s1
InChIKeyHBYCLJCUSZPXPX-HOTGVXAUSA-N
XLogP1.62
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-(5-methylfuran-2-yl)-1-(oxan-4-yl)pyrrolidin-3-yl]cyclopropanesulfonamide?
The IUPAC name of N-[(3R,4S)-4-(5-methylfuran-2-yl)-1-(oxan-4-yl)pyrrolidin-3-yl]cyclopropanesulfonamide (CID 72855004) is N-[(3R,4S)-4-(5-methylfuran-2-yl)-1-(oxan-4-yl)pyrrolidin-3-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[(3R,4S)-4-(5-methylfuran-2-yl)-1-(oxan-4-yl)pyrrolidin-3-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[(3R,4S)-4-(5-methylfuran-2-yl)-1-(oxan-4-yl)pyrrolidin-3-yl]cyclopropanesulfonamide is Cc1ccc([C@H]2CN(C3CCOCC3)C[C@@H]2NS(=O)(=O)C2CC2)o1.
What is the InChIKey of N-[(3R,4S)-4-(5-methylfuran-2-yl)-1-(oxan-4-yl)pyrrolidin-3-yl]cyclopropanesulfonamide?
The InChIKey is HBYCLJCUSZPXPX-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-12-2-5-17(23-12)15-10-19(13-6-8-22-9-7-13)11-16(15)18-24(20,21)14-3-4-14/h2,5,13-16,18H,3-4,6-11H2,1H3/t15-,16-/m0/s1.
What are the key properties of N-[(3R,4S)-4-(5-methylfuran-2-yl)-1-(oxan-4-yl)pyrrolidin-3-yl]cyclopropanesulfonamide?
N-[(3R,4S)-4-(5-methylfuran-2-yl)-1-(oxan-4-yl)pyrrolidin-3-yl]cyclopropanesulfonamide has a molecular weight of 354.47 g/mol, XLogP of 1.62, 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-(oxan-4-yl)pyrrolidin-3-yl]cyclopropanesulfonamide is sourced from PubChem (CID 72855004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).