[(1R)-1-cyanoethyl] 3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoate

C16H20N2O4S — CID 7829793

IUPAC[(1R)-1-cyanoethyl] 3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoate
SMILESC[C@H](C#N)OC(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C16H20N2O4S/c1-12(11-17)22-16(19)8-9-18-23(20,21)15-7-6-13-4-2-3-5-14(13)10-15/h6-7,10,12,18H,2-5,8-9H2,1H3/t12-/m1/s1
InChIKeyYVIQFYSGIQHZQW-GFCCVEGCSA-N
MW336.41 g/mol
LogP1.69
Rot. Bonds6

About [(1R)-1-cyanoethyl] 3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoate

[(1R)-1-cyanoethyl] 3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoate (PubChem CID 7829793) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is [(1R)-1-cyanoethyl] 3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoate.

Molecular Properties

Compound Name[(1R)-1-cyanoethyl] 3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoate
PubChem CID7829793
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC Name[(1R)-1-cyanoethyl] 3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoate
SMILESC[C@H](C#N)OC(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C16H20N2O4S/c1-12(11-17)22-16(19)8-9-18-23(20,21)15-7-6-13-4-2-3-5-14(13)10-15/h6-7,10,12,18H,2-5,8-9H2,1H3/t12-/m1/s1
InChIKeyYVIQFYSGIQHZQW-GFCCVEGCSA-N
XLogP1.69
TPSA96.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[di(propan-2-yl)amino]-2-oxoethyl] 3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoate
CID 7829786
(4-nitrophenyl)methyl 3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoate
CID 7829798
N-[1-(2-methylphenyl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 24544702
[2-(2-methoxyethylamino)-2-oxoethyl] 3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoate
CID 7829779
[(1R)-1-cyanoethyl] 3-[(2-bromophenyl)sulfonylamino]propanoate
CID 7993728
N-(cyclopropylmethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 24667154
2-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoic acid
CID 62676412
2,3-dihydro-1H-inden-5-yl 3-[(4-ethylphenyl)sulfonylamino]propanoate
CID 67677254
N-(cyclopentylmethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 43067731
N-(3-methoxyphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 24535951
N-(3-hydroxy-4-methoxybutyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 103875971
N-[2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)ethyl]acetamide
CID 26943012

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-cyanoethyl] 3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoate?
The IUPAC name of [(1R)-1-cyanoethyl] 3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoate (CID 7829793) is [(1R)-1-cyanoethyl] 3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoate.
What is the SMILES notation for [(1R)-1-cyanoethyl] 3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoate?
The canonical SMILES for [(1R)-1-cyanoethyl] 3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoate is C[C@H](C#N)OC(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of [(1R)-1-cyanoethyl] 3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoate?
The InChIKey is YVIQFYSGIQHZQW-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-12(11-17)22-16(19)8-9-18-23(20,21)15-7-6-13-4-2-3-5-14(13)10-15/h6-7,10,12,18H,2-5,8-9H2,1H3/t12-/m1/s1.
What are the key properties of [(1R)-1-cyanoethyl] 3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoate?
[(1R)-1-cyanoethyl] 3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoate has a molecular weight of 336.41 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-cyanoethyl] 3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoate is sourced from PubChem (CID 7829793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).