(3R,4S)-3-cyclopropyl-4-[[ethyl(methyl)sulfamoyl]amino]-1-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrrolidine

C16H30N4O3S — CID 133122570

IUPAC(3R,4S)-3-cyclopropyl-4-[[ethyl(methyl)sulfamoyl]amino]-1-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrrolidine
SMILESCCN(C)S(=O)(=O)N[C@@H]1CN(CCN2CCCC2=O)C[C@H]1C1CC1
InChIInChI=1S/C16H30N4O3S/c1-3-18(2)24(22,23)17-15-12-19(11-14(15)13-6-7-13)9-10-20-8-4-5-16(20)21/h13-15,17H,3-12H2,1-2H3/t14-,15+/m0/s1
InChIKeyKMDHJMTZUDADOB-LSDHHAIUSA-N
MW358.51 g/mol
LogP0.11
Rot. Bonds8

About (3R,4S)-3-cyclopropyl-4-[[ethyl(methyl)sulfamoyl]amino]-1-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrrolidine

(3R,4S)-3-cyclopropyl-4-[[ethyl(methyl)sulfamoyl]amino]-1-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrrolidine (PubChem CID 133122570) has the molecular formula C16H30N4O3S and a molecular weight of 358.51 g/mol. Its IUPAC name is (3R,4S)-3-cyclopropyl-4-[[ethyl(methyl)sulfamoyl]amino]-1-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrrolidine.

Molecular Properties

Compound Name(3R,4S)-3-cyclopropyl-4-[[ethyl(methyl)sulfamoyl]amino]-1-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrrolidine
PubChem CID133122570
Molecular FormulaC16H30N4O3S
Molecular Weight358.51 g/mol
Exact Mass358.20
IUPAC Name(3R,4S)-3-cyclopropyl-4-[[ethyl(methyl)sulfamoyl]amino]-1-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrrolidine
SMILESCCN(C)S(=O)(=O)N[C@@H]1CN(CCN2CCCC2=O)C[C@H]1C1CC1
InChIInChI=1S/C16H30N4O3S/c1-3-18(2)24(22,23)17-15-12-19(11-14(15)13-6-7-13)9-10-20-8-4-5-16(20)21/h13-15,17H,3-12H2,1-2H3/t14-,15+/m0/s1
InChIKeyKMDHJMTZUDADOB-LSDHHAIUSA-N
XLogP0.11
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-cyclopropyl-4-[[ethyl(methyl)sulfamoyl]amino]-1-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrrolidine?
The IUPAC name of (3R,4S)-3-cyclopropyl-4-[[ethyl(methyl)sulfamoyl]amino]-1-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrrolidine (CID 133122570) is (3R,4S)-3-cyclopropyl-4-[[ethyl(methyl)sulfamoyl]amino]-1-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrrolidine.
What is the SMILES notation for (3R,4S)-3-cyclopropyl-4-[[ethyl(methyl)sulfamoyl]amino]-1-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrrolidine?
The canonical SMILES for (3R,4S)-3-cyclopropyl-4-[[ethyl(methyl)sulfamoyl]amino]-1-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrrolidine is CCN(C)S(=O)(=O)N[C@@H]1CN(CCN2CCCC2=O)C[C@H]1C1CC1.
What is the InChIKey of (3R,4S)-3-cyclopropyl-4-[[ethyl(methyl)sulfamoyl]amino]-1-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrrolidine?
The InChIKey is KMDHJMTZUDADOB-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H30N4O3S/c1-3-18(2)24(22,23)17-15-12-19(11-14(15)13-6-7-13)9-10-20-8-4-5-16(20)21/h13-15,17H,3-12H2,1-2H3/t14-,15+/m0/s1.
What are the key properties of (3R,4S)-3-cyclopropyl-4-[[ethyl(methyl)sulfamoyl]amino]-1-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrrolidine?
(3R,4S)-3-cyclopropyl-4-[[ethyl(methyl)sulfamoyl]amino]-1-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrrolidine has a molecular weight of 358.51 g/mol, XLogP of 0.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-cyclopropyl-4-[[ethyl(methyl)sulfamoyl]amino]-1-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrrolidine is sourced from PubChem (CID 133122570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).