tert-butyl N-[(3R)-1-[butyl(methyl)sulfamoyl]pyrrolidin-3-yl]carbamate

C14H29N3O4S — CID 100844977

IUPACtert-butyl N-[(3R)-1-[butyl(methyl)sulfamoyl]pyrrolidin-3-yl]carbamate
SMILESCCCCN(C)S(=O)(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H29N3O4S/c1-6-7-9-16(5)22(19,20)17-10-8-12(11-17)15-13(18)21-14(2,3)4/h12H,6-11H2,1-5H3,(H,15,18)/t12-/m1/s1
InChIKeyKNPRJVDMGBWFCE-GFCCVEGCSA-N
MW335.47 g/mol
LogP1.56
Rot. Bonds6

About tert-butyl N-[(3R)-1-[butyl(methyl)sulfamoyl]pyrrolidin-3-yl]carbamate

tert-butyl N-[(3R)-1-[butyl(methyl)sulfamoyl]pyrrolidin-3-yl]carbamate (PubChem CID 100844977) has the molecular formula C14H29N3O4S and a molecular weight of 335.47 g/mol. Its IUPAC name is tert-butyl N-[(3R)-1-[butyl(methyl)sulfamoyl]pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-1-[butyl(methyl)sulfamoyl]pyrrolidin-3-yl]carbamate
PubChem CID100844977
Molecular FormulaC14H29N3O4S
Molecular Weight335.47 g/mol
Exact Mass335.19
IUPAC Nametert-butyl N-[(3R)-1-[butyl(methyl)sulfamoyl]pyrrolidin-3-yl]carbamate
SMILESCCCCN(C)S(=O)(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H29N3O4S/c1-6-7-9-16(5)22(19,20)17-10-8-12(11-17)15-13(18)21-14(2,3)4/h12H,6-11H2,1-5H3,(H,15,18)/t12-/m1/s1
InChIKeyKNPRJVDMGBWFCE-GFCCVEGCSA-N
XLogP1.56
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-1-[butyl(methyl)sulfamoyl]pyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-1-[butyl(methyl)sulfamoyl]pyrrolidin-3-yl]carbamate (CID 100844977) is tert-butyl N-[(3R)-1-[butyl(methyl)sulfamoyl]pyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-1-[butyl(methyl)sulfamoyl]pyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-1-[butyl(methyl)sulfamoyl]pyrrolidin-3-yl]carbamate is CCCCN(C)S(=O)(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[(3R)-1-[butyl(methyl)sulfamoyl]pyrrolidin-3-yl]carbamate?
The InChIKey is KNPRJVDMGBWFCE-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H29N3O4S/c1-6-7-9-16(5)22(19,20)17-10-8-12(11-17)15-13(18)21-14(2,3)4/h12H,6-11H2,1-5H3,(H,15,18)/t12-/m1/s1.
What are the key properties of tert-butyl N-[(3R)-1-[butyl(methyl)sulfamoyl]pyrrolidin-3-yl]carbamate?
tert-butyl N-[(3R)-1-[butyl(methyl)sulfamoyl]pyrrolidin-3-yl]carbamate has a molecular weight of 335.47 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-1-[butyl(methyl)sulfamoyl]pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 100844977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).