(2S)-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)pentanoic acid

C15H21NO4S — CID 104934811

IUPAC(2S)-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)pentanoic acid
SMILESCCC[C@H](NS(=O)(=O)c1ccc2c(c1)CCCC2)C(=O)O
InChIInChI=1S/C15H21NO4S/c1-2-5-14(15(17)18)16-21(19,20)13-9-8-11-6-3-4-7-12(11)10-13/h8-10,14,16H,2-7H2,1H3,(H,17,18)/t14-/m0/s1
InChIKeyRKHCWKJDQZLBKA-AWEZNQCLSA-N
MW311.40 g/mol
LogP2.10
Rot. Bonds6

About (2S)-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)pentanoic acid

(2S)-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)pentanoic acid (PubChem CID 104934811) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is (2S)-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)pentanoic acid
PubChem CID104934811
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC Name(2S)-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)pentanoic acid
SMILESCCC[C@H](NS(=O)(=O)c1ccc2c(c1)CCCC2)C(=O)O
InChIInChI=1S/C15H21NO4S/c1-2-5-14(15(17)18)16-21(19,20)13-9-8-11-6-3-4-7-12(11)10-13/h8-10,14,16H,2-7H2,1H3,(H,17,18)/t14-/m0/s1
InChIKeyRKHCWKJDQZLBKA-AWEZNQCLSA-N
XLogP2.10
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)pentanoic acid
CID 43631170
(2S)-2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)butanedioic acid
CID 112733090
(2R)-3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)butanoic acid
CID 79009391
(2S)-N-ethyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 8802711
2-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoic acid
CID 62676412
2-(3,5-dihydroxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetic acid
CID 167766250
(2S)-2-[(4-chlorophenyl)sulfonylamino]pentanoic acid
CID 788533
2-[(4-fluorophenyl)sulfonylamino]pentanoic acid
CID 3745894
N-[(2S)-1-hydroxybutan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 104981860
(2R)-2-[(4-tert-butylphenyl)sulfonylamino]pentanoic acid
CID 93252469
N-[(2R)-1-hydroxypropan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 39086781
2-[(3-chlorophenyl)sulfonylamino]pentanoic acid
CID 43631155

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)pentanoic acid?
The IUPAC name of (2S)-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)pentanoic acid (CID 104934811) is (2S)-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)pentanoic acid.
What is the SMILES notation for (2S)-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)pentanoic acid?
The canonical SMILES for (2S)-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)pentanoic acid is CCC[C@H](NS(=O)(=O)c1ccc2c(c1)CCCC2)C(=O)O.
What is the InChIKey of (2S)-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)pentanoic acid?
The InChIKey is RKHCWKJDQZLBKA-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H21NO4S/c1-2-5-14(15(17)18)16-21(19,20)13-9-8-11-6-3-4-7-12(11)10-13/h8-10,14,16H,2-7H2,1H3,(H,17,18)/t14-/m0/s1.
What are the key properties of (2S)-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)pentanoic acid?
(2S)-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)pentanoic acid has a molecular weight of 311.40 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)pentanoic acid is sourced from PubChem (CID 104934811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).