[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl] N-(thiophen-2-ylmethyl)carbamate

C13H17NO2S — CID 3246426

IUPAC[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl] N-(thiophen-2-ylmethyl)carbamate
SMILESO=C(NCc1cccs1)O[C@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C13H17NO2S/c15-13(14-8-11-2-1-5-17-11)16-12-7-9-3-4-10(12)6-9/h1-2,5,9-10,12H,3-4,6-8H2,(H,14,15)/t9-,10+,12-/m0/s1
InChIKeyYSNYCQPSXGEJGK-UMNHJUIQSA-N
MW251.35 g/mol
LogP3.16
Rot. Bonds3

About [(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl] N-(thiophen-2-ylmethyl)carbamate

[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl] N-(thiophen-2-ylmethyl)carbamate (PubChem CID 3246426) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is [(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl] N-(thiophen-2-ylmethyl)carbamate.

Molecular Properties

Compound Name[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl] N-(thiophen-2-ylmethyl)carbamate
PubChem CID3246426
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC Name[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl] N-(thiophen-2-ylmethyl)carbamate
SMILESO=C(NCc1cccs1)O[C@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C13H17NO2S/c15-13(14-8-11-2-1-5-17-11)16-12-7-9-3-4-10(12)6-9/h1-2,5,9-10,12H,3-4,6-8H2,(H,14,15)/t9-,10+,12-/m0/s1
InChIKeyYSNYCQPSXGEJGK-UMNHJUIQSA-N
XLogP3.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-(thiophen-2-ylmethyl)thiourea
CID 98293704
(2R,3S)-3-(thiophen-2-ylmethylcarbamoyl)bicyclo[2.2.2]octane-2-carboxylic acid
CID 40635846
N-(thiophen-2-ylmethyl)adamantane-1-carboxamide
CID 2805256
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
1-(cyclopentylmethyl)-3-(thiophen-2-ylmethyl)urea
CID 47027615
N-(2-bicyclo[2.2.1]heptanyl)-N-(thiophen-2-ylmethyl)carbamate
CID 57371803
4-(benzenesulfonamidomethyl)-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide
CID 6624440
N-[[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]methyl]thiophene-2-carboxamide
CID 98153739
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
2-(1-adamantyl)-N-(thiophen-2-ylmethyl)propanamide
CID 91580682
2-fluoro-N-(thiophen-2-ylmethyl)acetamide
CID 150063829
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 119679299

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl] N-(thiophen-2-ylmethyl)carbamate?
The IUPAC name of [(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl] N-(thiophen-2-ylmethyl)carbamate (CID 3246426) is [(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl] N-(thiophen-2-ylmethyl)carbamate.
What is the SMILES notation for [(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl] N-(thiophen-2-ylmethyl)carbamate?
The canonical SMILES for [(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl] N-(thiophen-2-ylmethyl)carbamate is O=C(NCc1cccs1)O[C@H]1C[C@H]2CC[C@@H]1C2.
What is the InChIKey of [(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl] N-(thiophen-2-ylmethyl)carbamate?
The InChIKey is YSNYCQPSXGEJGK-UMNHJUIQSA-N. The full InChI is InChI=1S/C13H17NO2S/c15-13(14-8-11-2-1-5-17-11)16-12-7-9-3-4-10(12)6-9/h1-2,5,9-10,12H,3-4,6-8H2,(H,14,15)/t9-,10+,12-/m0/s1.
What are the key properties of [(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl] N-(thiophen-2-ylmethyl)carbamate?
[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl] N-(thiophen-2-ylmethyl)carbamate has a molecular weight of 251.35 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl] N-(thiophen-2-ylmethyl)carbamate is sourced from PubChem (CID 3246426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).