tert-butyl N-[2-(thiophen-2-ylsulfonylamino)ethyl]carbamate

C11H18N2O4S2 — CID 47454485

IUPACtert-butyl N-[2-(thiophen-2-ylsulfonylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNS(=O)(=O)c1cccs1
InChIInChI=1S/C11H18N2O4S2/c1-11(2,3)17-10(14)12-6-7-13-19(15,16)9-5-4-8-18-9/h4-5,8,13H,6-7H2,1-3H3,(H,12,14)
InChIKeyFESZVCNCYNBCSE-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.55
Rot. Bonds5

About tert-butyl N-[2-(thiophen-2-ylsulfonylamino)ethyl]carbamate

tert-butyl N-[2-(thiophen-2-ylsulfonylamino)ethyl]carbamate (PubChem CID 47454485) has the molecular formula C11H18N2O4S2 and a molecular weight of 306.41 g/mol. Its IUPAC name is tert-butyl N-[2-(thiophen-2-ylsulfonylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(thiophen-2-ylsulfonylamino)ethyl]carbamate
PubChem CID47454485
Molecular FormulaC11H18N2O4S2
Molecular Weight306.41 g/mol
Exact Mass306.07
IUPAC Nametert-butyl N-[2-(thiophen-2-ylsulfonylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNS(=O)(=O)c1cccs1
InChIInChI=1S/C11H18N2O4S2/c1-11(2,3)17-10(14)12-6-7-13-19(15,16)9-5-4-8-18-9/h4-5,8,13H,6-7H2,1-3H3,(H,12,14)
InChIKeyFESZVCNCYNBCSE-UHFFFAOYSA-N
XLogP1.55
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethoxy)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide
CID 108574842
N-[2-(thiophen-2-ylsulfonylamino)ethyl]pentanamide
CID 108573837
N-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 62658549
tert-butyl N-[(2S)-1-[bis(thiophen-2-ylmethyl)amino]-1-oxo-6-(thiophen-2-ylsulfonylamino)hexan-2-yl]carbamate
CID 140616755
tert-butyl N-[2-(thiophen-2-ylmethylamino)ethyl]carbamate
CID 71214616
4-ethyl-N-[2-(thiophen-2-ylsulfonylamino)ethyl]benzamide
CID 71912305
methyl 6-(thiophen-2-ylsulfonylamino)hexanoate
CID 43404961
4,4-dimethyl-6-(thiophen-2-ylsulfonylamino)hexanoic acid
CID 65285268
tert-butyl N-[3-oxo-3-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)amino]propyl]carbamate
CID 108558943
tert-butyl N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]carbamate
CID 164548562
2-iodo-N-[2-(thiophen-2-ylsulfonylamino)ethyl]benzamide
CID 108571250
3-phenoxy-N-[2-(thiophen-2-ylsulfonylamino)ethyl]propanamide
CID 108573563

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(thiophen-2-ylsulfonylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(thiophen-2-ylsulfonylamino)ethyl]carbamate (CID 47454485) is tert-butyl N-[2-(thiophen-2-ylsulfonylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(thiophen-2-ylsulfonylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(thiophen-2-ylsulfonylamino)ethyl]carbamate is CC(C)(C)OC(=O)NCCNS(=O)(=O)c1cccs1.
What is the InChIKey of tert-butyl N-[2-(thiophen-2-ylsulfonylamino)ethyl]carbamate?
The InChIKey is FESZVCNCYNBCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S2/c1-11(2,3)17-10(14)12-6-7-13-19(15,16)9-5-4-8-18-9/h4-5,8,13H,6-7H2,1-3H3,(H,12,14).
What are the key properties of tert-butyl N-[2-(thiophen-2-ylsulfonylamino)ethyl]carbamate?
tert-butyl N-[2-(thiophen-2-ylsulfonylamino)ethyl]carbamate has a molecular weight of 306.41 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(thiophen-2-ylsulfonylamino)ethyl]carbamate is sourced from PubChem (CID 47454485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).