3-(benzenesulfonyl)-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]propanamide

C17H26N2O4S — CID 118777842

IUPAC3-(benzenesulfonyl)-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]propanamide
SMILESCO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)CCS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H26N2O4S/c1-13(2)19-11-15(16(12-19)23-3)18-17(20)9-10-24(21,22)14-7-5-4-6-8-14/h4-8,13,15-16H,9-12H2,1-3H3,(H,18,20)/t15-,16-/m0/s1
InChIKeyHRKUQQFDIYWTBL-HOTGVXAUSA-N
MW354.47 g/mol
LogP1.07
Rot. Bonds7

About 3-(benzenesulfonyl)-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]propanamide

3-(benzenesulfonyl)-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]propanamide (PubChem CID 118777842) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]propanamide
PubChem CID118777842
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC Name3-(benzenesulfonyl)-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]propanamide
SMILESCO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)CCS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H26N2O4S/c1-13(2)19-11-15(16(12-19)23-3)18-17(20)9-10-24(21,22)14-7-5-4-6-8-14/h4-8,13,15-16H,9-12H2,1-3H3,(H,18,20)/t15-,16-/m0/s1
InChIKeyHRKUQQFDIYWTBL-HOTGVXAUSA-N
XLogP1.07
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]propanamide (CID 118777842) is 3-(benzenesulfonyl)-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]propanamide is CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)CCS(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]propanamide?
The InChIKey is HRKUQQFDIYWTBL-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-13(2)19-11-15(16(12-19)23-3)18-17(20)9-10-24(21,22)14-7-5-4-6-8-14/h4-8,13,15-16H,9-12H2,1-3H3,(H,18,20)/t15-,16-/m0/s1.
What are the key properties of 3-(benzenesulfonyl)-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]propanamide?
3-(benzenesulfonyl)-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]propanamide has a molecular weight of 354.47 g/mol, XLogP of 1.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]propanamide is sourced from PubChem (CID 118777842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).