tert-butyl N-[thiophen-2-yl(tributylstannyl)methyl]carbamate

C22H41NO2SSn — CID 134944576

IUPACtert-butyl N-[thiophen-2-yl(tributylstannyl)methyl]carbamate
SMILESCCCC[Sn](CCCC)(CCCC)C(NC(=O)OC(C)(C)C)c1cccs1
InChIInChI=1S/C10H14NO2S.3C4H9.Sn/c1-10(2,3)13-9(12)11-7-8-5-4-6-14-8;3*1-3-4-2;/h4-7H,1-3H3,(H,11,12);3*1,3-4H2,2H3;
InChIKeyUZIDKTCRLPFPJR-UHFFFAOYSA-N
MW502.35 g/mol
LogP7.70
Rot. Bonds12

About tert-butyl N-[thiophen-2-yl(tributylstannyl)methyl]carbamate

tert-butyl N-[thiophen-2-yl(tributylstannyl)methyl]carbamate (PubChem CID 134944576) has the molecular formula C22H41NO2SSn and a molecular weight of 502.35 g/mol. Its IUPAC name is tert-butyl N-[thiophen-2-yl(tributylstannyl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[thiophen-2-yl(tributylstannyl)methyl]carbamate
PubChem CID134944576
Molecular FormulaC22H41NO2SSn
Molecular Weight502.35 g/mol
Exact Mass503.19
IUPAC Nametert-butyl N-[thiophen-2-yl(tributylstannyl)methyl]carbamate
SMILESCCCC[Sn](CCCC)(CCCC)C(NC(=O)OC(C)(C)C)c1cccs1
InChIInChI=1S/C10H14NO2S.3C4H9.Sn/c1-10(2,3)13-9(12)11-7-8-5-4-6-14-8;3*1-3-4-2;/h4-7H,1-3H3,(H,11,12);3*1,3-4H2,2H3;
InChIKeyUZIDKTCRLPFPJR-UHFFFAOYSA-N
XLogP7.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.35
LogP ≤ 57.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Thiophen-2-ylmethyl-carbamic acid tert-butyl ester
CID 4935536
Carbamic acid, 2-thenyl-, 2-hydroxyethyl ester
CID 57422
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CID 2779810
tert-butyl N-[(4-bromothiophen-2-yl)methyl]carbamate
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(2-methyl-3-oxobutan-2-yl) N-(thiophen-2-ylmethyl)carbamate
CID 2799233
Tert-butyl (1-(thiophen-2-ylmethyl)piperidin-3-yl)carbamate
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tert-butyl N-[3-(thiophen-2-yl)prop-2-yn-1-yl]carbamate
CID 11492408
tert-butyl N-[(3R)-3-amino-3-(thiophen-2-yl)propyl]-N-methylcarbamate
CID 155970858
tert-butyl N-methyl-N-(thiophen-2-ylmethyl)carbamate
CID 63790264
2,2,2-Trifluoroethyl thien-2-ylmethylcarbamate
CID 9450078
(5-(((tert-Butoxycarbonyl)amino)methyl)thiophen-2-yl)boronic acid
CID 46738981
tert-butyl N-[(3-fluorothiophen-2-yl)methyl]carbamate
CID 130358243

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[thiophen-2-yl(tributylstannyl)methyl]carbamate?
The IUPAC name of tert-butyl N-[thiophen-2-yl(tributylstannyl)methyl]carbamate (CID 134944576) is tert-butyl N-[thiophen-2-yl(tributylstannyl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[thiophen-2-yl(tributylstannyl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[thiophen-2-yl(tributylstannyl)methyl]carbamate is CCCC[Sn](CCCC)(CCCC)C(NC(=O)OC(C)(C)C)c1cccs1.
What is the InChIKey of tert-butyl N-[thiophen-2-yl(tributylstannyl)methyl]carbamate?
The InChIKey is UZIDKTCRLPFPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14NO2S.3C4H9.Sn/c1-10(2,3)13-9(12)11-7-8-5-4-6-14-8;3*1-3-4-2;/h4-7H,1-3H3,(H,11,12);3*1,3-4H2,2H3;.
What are the key properties of tert-butyl N-[thiophen-2-yl(tributylstannyl)methyl]carbamate?
tert-butyl N-[thiophen-2-yl(tributylstannyl)methyl]carbamate has a molecular weight of 502.35 g/mol, XLogP of 7.70, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[thiophen-2-yl(tributylstannyl)methyl]carbamate is sourced from PubChem (CID 134944576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).