(2S)-2-amino-N-(3,4-dihydro-2H-chromen-8-ylsulfonyl)-4-methylpentanamide

C15H22N2O4S — CID 122490834

IUPAC(2S)-2-amino-N-(3,4-dihydro-2H-chromen-8-ylsulfonyl)-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NS(=O)(=O)c1cccc2c1OCCC2
InChIInChI=1S/C15H22N2O4S/c1-10(2)9-12(16)15(18)17-22(19,20)13-7-3-5-11-6-4-8-21-14(11)13/h3,5,7,10,12H,4,6,8-9,16H2,1-2H3,(H,17,18)/t12-/m0/s1
InChIKeyXSNBAOJPGNRACU-LBPRGKRZSA-N
MW326.42 g/mol
LogP1.19
Rot. Bonds5

About (2S)-2-amino-N-(3,4-dihydro-2H-chromen-8-ylsulfonyl)-4-methylpentanamide

(2S)-2-amino-N-(3,4-dihydro-2H-chromen-8-ylsulfonyl)-4-methylpentanamide (PubChem CID 122490834) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is (2S)-2-amino-N-(3,4-dihydro-2H-chromen-8-ylsulfonyl)-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3,4-dihydro-2H-chromen-8-ylsulfonyl)-4-methylpentanamide
PubChem CID122490834
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name(2S)-2-amino-N-(3,4-dihydro-2H-chromen-8-ylsulfonyl)-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NS(=O)(=O)c1cccc2c1OCCC2
InChIInChI=1S/C15H22N2O4S/c1-10(2)9-12(16)15(18)17-22(19,20)13-7-3-5-11-6-4-8-21-14(11)13/h3,5,7,10,12H,4,6,8-9,16H2,1-2H3,(H,17,18)/t12-/m0/s1
InChIKeyXSNBAOJPGNRACU-LBPRGKRZSA-N
XLogP1.19
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dihydro-2H-chromen-8-yl)-3-methylbutan-1-amine
CID 114744902
(2S)-2-amino-4-methyl-N-quinolin-8-ylsulfonylpentanamide
CID 122490796
3,4-dihydro-2H-chromene-8-sulfonic acid;hydrochloride
CID 174945642
8-(2-methylpropyl)-3,4-dihydro-2H-chromene
CID 160635539
4-(3,4-dihydro-2H-chromen-8-yl)pentan-2-amine
CID 114746964
2-(3,4-dihydro-2H-chromen-8-ylsulfonylamino)-3-pyridin-4-ylpropanoic acid
CID 138004479
N-(3,4-dihydro-2H-chromen-8-ylsulfanyl)-4-methylpentanamide
CID 145138095
3-amino-N-(3,4-dihydro-2H-chromen-8-yl)butanamide;hydrochloride
CID 119790797
2-amino-4-methyl-N-(4-phenylphenyl)sulfonylpentanamide
CID 145138135
1-(3,4-dihydro-2H-chromen-8-yl)-2,4-dimethylpentan-1-ol
CID 114200584
3-(2,3-dihydro-1-benzofuran-7-ylsulfonylamino)-4-methoxy-3-methylbutanoic acid
CID 154865108
6-amino-N-(2-hydroxypropyl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337032

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3,4-dihydro-2H-chromen-8-ylsulfonyl)-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-(3,4-dihydro-2H-chromen-8-ylsulfonyl)-4-methylpentanamide (CID 122490834) is (2S)-2-amino-N-(3,4-dihydro-2H-chromen-8-ylsulfonyl)-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-(3,4-dihydro-2H-chromen-8-ylsulfonyl)-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-(3,4-dihydro-2H-chromen-8-ylsulfonyl)-4-methylpentanamide is CC(C)C[C@H](N)C(=O)NS(=O)(=O)c1cccc2c1OCCC2.
What is the InChIKey of (2S)-2-amino-N-(3,4-dihydro-2H-chromen-8-ylsulfonyl)-4-methylpentanamide?
The InChIKey is XSNBAOJPGNRACU-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-10(2)9-12(16)15(18)17-22(19,20)13-7-3-5-11-6-4-8-21-14(11)13/h3,5,7,10,12H,4,6,8-9,16H2,1-2H3,(H,17,18)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N-(3,4-dihydro-2H-chromen-8-ylsulfonyl)-4-methylpentanamide?
(2S)-2-amino-N-(3,4-dihydro-2H-chromen-8-ylsulfonyl)-4-methylpentanamide has a molecular weight of 326.42 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3,4-dihydro-2H-chromen-8-ylsulfonyl)-4-methylpentanamide is sourced from PubChem (CID 122490834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).