N-(2-bicyclo[2.2.1]heptanyl)-N-(thiophen-2-ylmethyl)carbamate

C13H16NO2S- — CID 57371803

IUPACN-(2-bicyclo[2.2.1]heptanyl)-N-(thiophen-2-ylmethyl)carbamate
SMILESO=C([O-])N(Cc1cccs1)C1CC2CCC1C2
InChIInChI=1S/C13H17NO2S/c15-13(16)14(8-11-2-1-5-17-11)12-7-9-3-4-10(12)6-9/h1-2,5,9-10,12H,3-4,6-8H2,(H,15,16)/p-1
InChIKeyGHGAHQOYFYEEJS-UHFFFAOYSA-M
MW250.34 g/mol
LogP2.08
Rot. Bonds3

About N-(2-bicyclo[2.2.1]heptanyl)-N-(thiophen-2-ylmethyl)carbamate

N-(2-bicyclo[2.2.1]heptanyl)-N-(thiophen-2-ylmethyl)carbamate (PubChem CID 57371803) has the molecular formula C13H16NO2S- and a molecular weight of 250.34 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-N-(thiophen-2-ylmethyl)carbamate.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-N-(thiophen-2-ylmethyl)carbamate
PubChem CID57371803
Molecular FormulaC13H16NO2S-
Molecular Weight250.34 g/mol
Exact Mass250.09
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-N-(thiophen-2-ylmethyl)carbamate
SMILESO=C([O-])N(Cc1cccs1)C1CC2CCC1C2
InChIInChI=1S/C13H17NO2S/c15-13(16)14(8-11-2-1-5-17-11)12-7-9-3-4-10(12)6-9/h1-2,5,9-10,12H,3-4,6-8H2,(H,15,16)/p-1
InChIKeyGHGAHQOYFYEEJS-UHFFFAOYSA-M
XLogP2.08
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 78852309
N-cyclopropyl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide
CID 52571989
3-amino-N-cyclopropyl-2,2,3-trimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 65269853
2-[carboxymethyl-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]acetic acid
CID 63647136
(2R)-2-amino-N-cyclopropyl-3,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 113353364
1-cyclopentyl-1-(thiophen-2-ylmethyl)urea;hydrochloride
CID 175237620
N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 90610647
(2S)-2-amino-N-cyclopropyl-N-(thiophen-2-ylmethyl)pentanamide
CID 93369625
3-tert-butyl-1-cyclopropyl-1-(thiophen-2-ylmethyl)urea
CID 113224633
4-[cyclopropyl(thiophen-2-ylmethyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992646
N-cyclopropyl-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 47024128
N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 51262138

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-N-(thiophen-2-ylmethyl)carbamate?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-N-(thiophen-2-ylmethyl)carbamate (CID 57371803) is N-(2-bicyclo[2.2.1]heptanyl)-N-(thiophen-2-ylmethyl)carbamate.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-N-(thiophen-2-ylmethyl)carbamate?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-N-(thiophen-2-ylmethyl)carbamate is O=C([O-])N(Cc1cccs1)C1CC2CCC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-N-(thiophen-2-ylmethyl)carbamate?
The InChIKey is GHGAHQOYFYEEJS-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H17NO2S/c15-13(16)14(8-11-2-1-5-17-11)12-7-9-3-4-10(12)6-9/h1-2,5,9-10,12H,3-4,6-8H2,(H,15,16)/p-1.
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-N-(thiophen-2-ylmethyl)carbamate?
N-(2-bicyclo[2.2.1]heptanyl)-N-(thiophen-2-ylmethyl)carbamate has a molecular weight of 250.34 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-N-(thiophen-2-ylmethyl)carbamate is sourced from PubChem (CID 57371803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).