tert-butyl N-[3-[3-(sulfamoylamino)anilino]propyl]carbamate

C14H24N4O4S — CID 103821849

IUPACtert-butyl N-[3-[3-(sulfamoylamino)anilino]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCNc1cccc(NS(N)(=O)=O)c1
InChIInChI=1S/C14H24N4O4S/c1-14(2,3)22-13(19)17-9-5-8-16-11-6-4-7-12(10-11)18-23(15,20)21/h4,6-7,10,16,18H,5,8-9H2,1-3H3,(H,17,19)(H2,15,20,21)
InChIKeyOZBKZULLJBVZCC-UHFFFAOYSA-N
MW344.44 g/mol
LogP1.63
Rot. Bonds7

About tert-butyl N-[3-[3-(sulfamoylamino)anilino]propyl]carbamate

tert-butyl N-[3-[3-(sulfamoylamino)anilino]propyl]carbamate (PubChem CID 103821849) has the molecular formula C14H24N4O4S and a molecular weight of 344.44 g/mol. Its IUPAC name is tert-butyl N-[3-[3-(sulfamoylamino)anilino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[3-(sulfamoylamino)anilino]propyl]carbamate
PubChem CID103821849
Molecular FormulaC14H24N4O4S
Molecular Weight344.44 g/mol
Exact Mass344.15
IUPAC Nametert-butyl N-[3-[3-(sulfamoylamino)anilino]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCNc1cccc(NS(N)(=O)=O)c1
InChIInChI=1S/C14H24N4O4S/c1-14(2,3)22-13(19)17-9-5-8-16-11-6-4-7-12(10-11)18-23(15,20)21/h4,6-7,10,16,18H,5,8-9H2,1-3H3,(H,17,19)(H2,15,20,21)
InChIKeyOZBKZULLJBVZCC-UHFFFAOYSA-N
XLogP1.63
TPSA122.55 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 51.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl N-[3-[3-(sulfamoylamino)anilino]propyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[3-(4-methyl-3-sulfamoylanilino)propyl]carbamate
CID 103821639
tert-butyl N-[3-(3-sulfanylanilino)propyl]carbamate
CID 163658111
1-(pentylamino)-3-(sulfamoylamino)benzene
CID 43741926
tert-butyl N-[3-[3-chloro-4-(methanesulfonamido)anilino]propyl]carbamate
CID 113269164
ethyl 2-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]phenyl]-2-phenylacetate
CID 171639947
tert-butyl N-[3-(3-bromo-4-fluoroanilino)propyl]carbamate
CID 104776214
tert-butyl N-[3-[4-amino-3-(trifluoromethyl)anilino]propyl]carbamate
CID 104932863
tert-butyl N-[3-[3-(1,2,4-triazol-1-ylmethyl)anilino]propyl]carbamate
CID 113269167
1-(2,2-dimethylpropylamino)-3-(sulfamoylamino)benzene
CID 61323721
tert-butyl N-[3-[4-(methylsulfamoyl)anilino]propyl]carbamate
CID 103821850
methyl (2S)-2-(1,3-dihydroisoindol-2-yl)-2-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]phenyl]acetate
CID 176814239
tert-butyl N-[3-[4-bromo-3-(trifluoromethyl)anilino]propyl]carbamate
CID 103821698

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[3-(sulfamoylamino)anilino]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-[3-(sulfamoylamino)anilino]propyl]carbamate (CID 103821849) is tert-butyl N-[3-[3-(sulfamoylamino)anilino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[3-(sulfamoylamino)anilino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[3-(sulfamoylamino)anilino]propyl]carbamate is CC(C)(C)OC(=O)NCCCNc1cccc(NS(N)(=O)=O)c1.
What is the InChIKey of tert-butyl N-[3-[3-(sulfamoylamino)anilino]propyl]carbamate?
The InChIKey is OZBKZULLJBVZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O4S/c1-14(2,3)22-13(19)17-9-5-8-16-11-6-4-7-12(10-11)18-23(15,20)21/h4,6-7,10,16,18H,5,8-9H2,1-3H3,(H,17,19)(H2,15,20,21).
What are the key properties of tert-butyl N-[3-[3-(sulfamoylamino)anilino]propyl]carbamate?
tert-butyl N-[3-[3-(sulfamoylamino)anilino]propyl]carbamate has a molecular weight of 344.44 g/mol, XLogP of 1.63, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[3-(sulfamoylamino)anilino]propyl]carbamate is sourced from PubChem (CID 103821849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).