(2R,4S)-1-benzyl-2-methyl-4-[(sulfamoylamino)methyl]pyrrolidine

C13H21N3O2S — CID 124569518

IUPAC(2R,4S)-1-benzyl-2-methyl-4-[(sulfamoylamino)methyl]pyrrolidine
SMILESC[C@@H]1C[C@H](CNS(N)(=O)=O)CN1Cc1ccccc1
InChIInChI=1S/C13H21N3O2S/c1-11-7-13(8-15-19(14,17)18)10-16(11)9-12-5-3-2-4-6-12/h2-6,11,13,15H,7-10H2,1H3,(H2,14,17,18)/t11-,13-/m1/s1
InChIKeyPMPPOLPUODHVJS-DGCLKSJQSA-N
MW283.40 g/mol
LogP0.69
Rot. Bonds5

About (2R,4S)-1-benzyl-2-methyl-4-[(sulfamoylamino)methyl]pyrrolidine

(2R,4S)-1-benzyl-2-methyl-4-[(sulfamoylamino)methyl]pyrrolidine (PubChem CID 124569518) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is (2R,4S)-1-benzyl-2-methyl-4-[(sulfamoylamino)methyl]pyrrolidine.

Molecular Properties

Compound Name(2R,4S)-1-benzyl-2-methyl-4-[(sulfamoylamino)methyl]pyrrolidine
PubChem CID124569518
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name(2R,4S)-1-benzyl-2-methyl-4-[(sulfamoylamino)methyl]pyrrolidine
SMILESC[C@@H]1C[C@H](CNS(N)(=O)=O)CN1Cc1ccccc1
InChIInChI=1S/C13H21N3O2S/c1-11-7-13(8-15-19(14,17)18)10-16(11)9-12-5-3-2-4-6-12/h2-6,11,13,15H,7-10H2,1H3,(H2,14,17,18)/t11-,13-/m1/s1
InChIKeyPMPPOLPUODHVJS-DGCLKSJQSA-N
XLogP0.69
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-bis[(1-benzyl-5-methylpyrrolidin-3-yl)methyl]urea
CID 166232254
N-[(1-benzyl-5-methylpyrrolidin-3-yl)methyl]-3,5-dihydroxybenzamide
CID 86801413
(3R)-N-[[(3R,5S)-1-benzyl-5-methylpyrrolidin-3-yl]methyl]-3-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboxamide
CID 124845128
(4S)-1-benzyl-2,4-dimethylpyrrolidine
CID 118651465
(2S,4R)-1-benzyl-2,4-dimethylpyrrolidine
CID 15316822
1-benzyl-6-methylpiperidine-3,4-diol
CID 6421584
(2S,4S)-1-benzyl-4-chloro-2-methylpyrrolidine
CID 101162371
(2R,4S)-1-benzyl-4-chloro-2-methylpyrrolidine
CID 131036325
1-[[(3S,5R)-1-benzyl-5-methylpyrrolidin-3-yl]methyl]-3-[(2S,3S)-2-methyloxolan-3-yl]urea
CID 124841019
1-benzyl-6-methylpiperidin-3-amine
CID 54593768
N-[2-[(1-benzyl-5-methylpyrrolidin-3-yl)amino]phenyl]methanesulfonamide
CID 112742796
3-amino-N-[(3R,5R)-1-benzyl-5-methylpyrrolidin-3-yl]propanamide
CID 124652969

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-1-benzyl-2-methyl-4-[(sulfamoylamino)methyl]pyrrolidine?
The IUPAC name of (2R,4S)-1-benzyl-2-methyl-4-[(sulfamoylamino)methyl]pyrrolidine (CID 124569518) is (2R,4S)-1-benzyl-2-methyl-4-[(sulfamoylamino)methyl]pyrrolidine.
What is the SMILES notation for (2R,4S)-1-benzyl-2-methyl-4-[(sulfamoylamino)methyl]pyrrolidine?
The canonical SMILES for (2R,4S)-1-benzyl-2-methyl-4-[(sulfamoylamino)methyl]pyrrolidine is C[C@@H]1C[C@H](CNS(N)(=O)=O)CN1Cc1ccccc1.
What is the InChIKey of (2R,4S)-1-benzyl-2-methyl-4-[(sulfamoylamino)methyl]pyrrolidine?
The InChIKey is PMPPOLPUODHVJS-DGCLKSJQSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-11-7-13(8-15-19(14,17)18)10-16(11)9-12-5-3-2-4-6-12/h2-6,11,13,15H,7-10H2,1H3,(H2,14,17,18)/t11-,13-/m1/s1.
What are the key properties of (2R,4S)-1-benzyl-2-methyl-4-[(sulfamoylamino)methyl]pyrrolidine?
(2R,4S)-1-benzyl-2-methyl-4-[(sulfamoylamino)methyl]pyrrolidine has a molecular weight of 283.40 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-1-benzyl-2-methyl-4-[(sulfamoylamino)methyl]pyrrolidine is sourced from PubChem (CID 124569518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).