N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(cyclohexylmethylsulfonyl)acetamide

C18H31NO3S — CID 98786937

IUPACN-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(cyclohexylmethylsulfonyl)acetamide
SMILESC[C@@H](NC(=O)CS(=O)(=O)CC1CCCCC1)[C@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C18H31NO3S/c1-13(17-10-15-7-8-16(17)9-15)19-18(20)12-23(21,22)11-14-5-3-2-4-6-14/h13-17H,2-12H2,1H3,(H,19,20)/t13-,15+,16+,17-/m1/s1
InChIKeyZFZMIGIBTZGJKU-BSWAZPDLSA-N
MW341.52 g/mol
LogP2.92
Rot. Bonds6

About N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(cyclohexylmethylsulfonyl)acetamide

N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(cyclohexylmethylsulfonyl)acetamide (PubChem CID 98786937) has the molecular formula C18H31NO3S and a molecular weight of 341.52 g/mol. Its IUPAC name is N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(cyclohexylmethylsulfonyl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(cyclohexylmethylsulfonyl)acetamide
PubChem CID98786937
Molecular FormulaC18H31NO3S
Molecular Weight341.52 g/mol
Exact Mass341.20
IUPAC NameN-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(cyclohexylmethylsulfonyl)acetamide
SMILESC[C@@H](NC(=O)CS(=O)(=O)CC1CCCCC1)[C@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C18H31NO3S/c1-13(17-10-15-7-8-16(17)9-15)19-18(20)12-23(21,22)11-14-5-3-2-4-6-14/h13-17H,2-12H2,1H3,(H,19,20)/t13-,15+,16+,17-/m1/s1
InChIKeyZFZMIGIBTZGJKU-BSWAZPDLSA-N
XLogP2.92
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.52
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(cyclohexylmethylsulfonyl)acetamide 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

N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-cyclohexylpropanamide
CID 98329878
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-methylsulfonylacetamide
CID 98784730
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-bromoacetamide
CID 60651144
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-chloroacetamide
CID 98137773
N,N'-bis[1-(2-bicyclo[2.2.1]heptanyl)ethyl]pentanediamide
CID 3500052
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-chloroacetamide
CID 98137772
N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-methylbutanamide
CID 98233114
4-[[2-[[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-2-oxoethyl]sulfonylmethyl]-N-methylbenzamide
CID 124777634
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-piperidin-1-ylacetamide
CID 98219029
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-piperidin-1-ylacetamide
CID 6981850
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(cyclopropylmethylamino)acetamide
CID 54924868
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-[3-[[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-3-oxopropyl]sulfanylpropanamide
CID 100726421

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(cyclohexylmethylsulfonyl)acetamide?
The IUPAC name of N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(cyclohexylmethylsulfonyl)acetamide (CID 98786937) is N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(cyclohexylmethylsulfonyl)acetamide.
What is the SMILES notation for N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(cyclohexylmethylsulfonyl)acetamide?
The canonical SMILES for N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(cyclohexylmethylsulfonyl)acetamide is C[C@@H](NC(=O)CS(=O)(=O)CC1CCCCC1)[C@H]1C[C@H]2CC[C@H]1C2.
What is the InChIKey of N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(cyclohexylmethylsulfonyl)acetamide?
The InChIKey is ZFZMIGIBTZGJKU-BSWAZPDLSA-N. The full InChI is InChI=1S/C18H31NO3S/c1-13(17-10-15-7-8-16(17)9-15)19-18(20)12-23(21,22)11-14-5-3-2-4-6-14/h13-17H,2-12H2,1H3,(H,19,20)/t13-,15+,16+,17-/m1/s1.
What are the key properties of N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(cyclohexylmethylsulfonyl)acetamide?
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(cyclohexylmethylsulfonyl)acetamide has a molecular weight of 341.52 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(cyclohexylmethylsulfonyl)acetamide is sourced from PubChem (CID 98786937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).