tert-butyl N-[3-[methyl(2-pyrrolidin-1-ylethyl)sulfamoyl]propyl]carbamate

C15H31N3O4S — CID 136573574

IUPACtert-butyl N-[3-[methyl(2-pyrrolidin-1-ylethyl)sulfamoyl]propyl]carbamate
SMILESCN(CCN1CCCC1)S(=O)(=O)CCCNC(=O)OC(C)(C)C
InChIInChI=1S/C15H31N3O4S/c1-15(2,3)22-14(19)16-8-7-13-23(20,21)17(4)11-12-18-9-5-6-10-18/h5-13H2,1-4H3,(H,16,19)
InChIKeyKNAZTKOUBPUGOE-UHFFFAOYSA-N
MW349.50 g/mol
LogP1.26
Rot. Bonds8

About tert-butyl N-[3-[methyl(2-pyrrolidin-1-ylethyl)sulfamoyl]propyl]carbamate

tert-butyl N-[3-[methyl(2-pyrrolidin-1-ylethyl)sulfamoyl]propyl]carbamate (PubChem CID 136573574) has the molecular formula C15H31N3O4S and a molecular weight of 349.50 g/mol. Its IUPAC name is tert-butyl N-[3-[methyl(2-pyrrolidin-1-ylethyl)sulfamoyl]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[methyl(2-pyrrolidin-1-ylethyl)sulfamoyl]propyl]carbamate
PubChem CID136573574
Molecular FormulaC15H31N3O4S
Molecular Weight349.50 g/mol
Exact Mass349.20
IUPAC Nametert-butyl N-[3-[methyl(2-pyrrolidin-1-ylethyl)sulfamoyl]propyl]carbamate
SMILESCN(CCN1CCCC1)S(=O)(=O)CCCNC(=O)OC(C)(C)C
InChIInChI=1S/C15H31N3O4S/c1-15(2,3)22-14(19)16-8-7-13-23(20,21)17(4)11-12-18-9-5-6-10-18/h5-13H2,1-4H3,(H,16,19)
InChIKeyKNAZTKOUBPUGOE-UHFFFAOYSA-N
XLogP1.26
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-(2-piperidin-1-ylethyl)amino]ethyl]carbamate
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tert-butyl N-[3-[[N'-methyl-N-(3-pyrrolidin-1-ylpropyl)carbamimidoyl]amino]propyl]carbamate
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3-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)propane-1-sulfonamide
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tert-butyl N-[5-[4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]piperazin-1-yl]pentyl]carbamate
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tert-butyl N-[2-(2-pyrrolidin-1-ylethylamino)ethyl]carbamate
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tert-butyl N-[3-(4-methylazepan-1-yl)propyl]carbamate
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tert-butyl N-[2-[methyl(methylsulfonyl)amino]ethyl]carbamate
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tert-butyl N-[3-[4-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]propyl]carbamate
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tert-butyl N-(4-piperazin-1-ylbutyl)carbamate
CID 4134691
methyl N-(4-piperidin-1-ylbutyl)carbamate
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tert-butyl N-[2-(3-morpholin-4-ylpropylcarbamothioylamino)ethyl]carbamate
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tert-butyl N-[4-(azepan-1-yl)-4-oxobutyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[methyl(2-pyrrolidin-1-ylethyl)sulfamoyl]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-[methyl(2-pyrrolidin-1-ylethyl)sulfamoyl]propyl]carbamate (CID 136573574) is tert-butyl N-[3-[methyl(2-pyrrolidin-1-ylethyl)sulfamoyl]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[methyl(2-pyrrolidin-1-ylethyl)sulfamoyl]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[methyl(2-pyrrolidin-1-ylethyl)sulfamoyl]propyl]carbamate is CN(CCN1CCCC1)S(=O)(=O)CCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-[methyl(2-pyrrolidin-1-ylethyl)sulfamoyl]propyl]carbamate?
The InChIKey is KNAZTKOUBPUGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O4S/c1-15(2,3)22-14(19)16-8-7-13-23(20,21)17(4)11-12-18-9-5-6-10-18/h5-13H2,1-4H3,(H,16,19).
What are the key properties of tert-butyl N-[3-[methyl(2-pyrrolidin-1-ylethyl)sulfamoyl]propyl]carbamate?
tert-butyl N-[3-[methyl(2-pyrrolidin-1-ylethyl)sulfamoyl]propyl]carbamate has a molecular weight of 349.50 g/mol, XLogP of 1.26, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[methyl(2-pyrrolidin-1-ylethyl)sulfamoyl]propyl]carbamate is sourced from PubChem (CID 136573574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).