(3R,4R)-4-[[benzyl(methyl)sulfamoyl]-methylamino]pyrrolidin-3-ol

C13H21N3O3S — CID 43598392

IUPAC(3R,4R)-4-[[benzyl(methyl)sulfamoyl]-methylamino]pyrrolidin-3-ol
SMILESCN(Cc1ccccc1)S(=O)(=O)N(C)[C@@H]1CNC[C@H]1O
InChIInChI=1S/C13H21N3O3S/c1-15(10-11-6-4-3-5-7-11)20(18,19)16(2)12-8-14-9-13(12)17/h3-7,12-14,17H,8-10H2,1-2H3/t12-,13-/m1/s1
InChIKeyNKTUKQKHBSMSHA-CHWSQXEVSA-N
MW299.40 g/mol
LogP-0.37
Rot. Bonds5

About (3R,4R)-4-[[benzyl(methyl)sulfamoyl]-methylamino]pyrrolidin-3-ol

(3R,4R)-4-[[benzyl(methyl)sulfamoyl]-methylamino]pyrrolidin-3-ol (PubChem CID 43598392) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is (3R,4R)-4-[[benzyl(methyl)sulfamoyl]-methylamino]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-[[benzyl(methyl)sulfamoyl]-methylamino]pyrrolidin-3-ol
PubChem CID43598392
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name(3R,4R)-4-[[benzyl(methyl)sulfamoyl]-methylamino]pyrrolidin-3-ol
SMILESCN(Cc1ccccc1)S(=O)(=O)N(C)[C@@H]1CNC[C@H]1O
InChIInChI=1S/C13H21N3O3S/c1-15(10-11-6-4-3-5-7-11)20(18,19)16(2)12-8-14-9-13(12)17/h3-7,12-14,17H,8-10H2,1-2H3/t12-,13-/m1/s1
InChIKeyNKTUKQKHBSMSHA-CHWSQXEVSA-N
XLogP-0.37
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[methyl(2-phenylethyl)amino]pyrrolidin-3-ol
CID 65487607
2-[benzyl-[benzyl(methyl)sulfamoyl]amino]acetic acid
CID 54326605
N-[benzyl(methyl)sulfamoyl]-N-ethylpiperidin-3-amine
CID 63636927
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylthiophene-2-sulfonamide
CID 43598487
2-[[benzyl(methyl)sulfamoyl]-methylamino]propan-1-ol
CID 112548547
N-methyl-N-(methylsulfonimidoyl)-1-phenylmethanamine
CID 148954390
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-pyridin-4-ylethanesulfonamide
CID 61142839
4-[(3-bromophenyl)methyl-methylamino]pyrrolidin-3-ol
CID 63702636
N,N-dibenzyl-4-ethylpyrrolidin-3-amine
CID 130163577
N-[benzyl(methyl)sulfamoyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106608147
3-chloro-2-fluoro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylbenzenesulfonamide
CID 43598448
(5S)-5-[[[benzyl(methyl)sulfamoyl]-(pyridin-4-ylmethyl)amino]methyl]pyrrolidin-2-one
CID 131925449

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-[[benzyl(methyl)sulfamoyl]-methylamino]pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-4-[[benzyl(methyl)sulfamoyl]-methylamino]pyrrolidin-3-ol (CID 43598392) is (3R,4R)-4-[[benzyl(methyl)sulfamoyl]-methylamino]pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-4-[[benzyl(methyl)sulfamoyl]-methylamino]pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-4-[[benzyl(methyl)sulfamoyl]-methylamino]pyrrolidin-3-ol is CN(Cc1ccccc1)S(=O)(=O)N(C)[C@@H]1CNC[C@H]1O.
What is the InChIKey of (3R,4R)-4-[[benzyl(methyl)sulfamoyl]-methylamino]pyrrolidin-3-ol?
The InChIKey is NKTUKQKHBSMSHA-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-15(10-11-6-4-3-5-7-11)20(18,19)16(2)12-8-14-9-13(12)17/h3-7,12-14,17H,8-10H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of (3R,4R)-4-[[benzyl(methyl)sulfamoyl]-methylamino]pyrrolidin-3-ol?
(3R,4R)-4-[[benzyl(methyl)sulfamoyl]-methylamino]pyrrolidin-3-ol has a molecular weight of 299.40 g/mol, XLogP of -0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-[[benzyl(methyl)sulfamoyl]-methylamino]pyrrolidin-3-ol is sourced from PubChem (CID 43598392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).