(4S)-6-methylsulfonyl-3,4-dihydro-2H-chromen-4-amine

C10H13NO3S — CID 131548792

IUPAC(4S)-6-methylsulfonyl-3,4-dihydro-2H-chromen-4-amine
SMILESCS(=O)(=O)c1ccc2c(c1)[C@@H](N)CCO2
InChIInChI=1S/C10H13NO3S/c1-15(12,13)7-2-3-10-8(6-7)9(11)4-5-14-10/h2-3,6,9H,4-5,11H2,1H3/t9-/m0/s1
InChIKeyOQPMUTCQXQNSOA-VIFPVBQESA-N
MW227.28 g/mol
LogP0.87
Rot. Bonds1

About (4S)-6-methylsulfonyl-3,4-dihydro-2H-chromen-4-amine

(4S)-6-methylsulfonyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 131548792) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is (4S)-6-methylsulfonyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4S)-6-methylsulfonyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID131548792
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Name(4S)-6-methylsulfonyl-3,4-dihydro-2H-chromen-4-amine
SMILESCS(=O)(=O)c1ccc2c(c1)[C@@H](N)CCO2
InChIInChI=1S/C10H13NO3S/c1-15(12,13)7-2-3-10-8(6-7)9(11)4-5-14-10/h2-3,6,9H,4-5,11H2,1H3/t9-/m0/s1
InChIKeyOQPMUTCQXQNSOA-VIFPVBQESA-N
XLogP0.87
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3,4-dihydro-2H-chromene-6-sulfonamide
CID 43186511
4-amino-N-pyridin-3-yl-3,4-dihydro-2H-chromene-6-sulfonamide
CID 82166580
(4S)-6-ethyl-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 75412144
(4R)-6-(trifluoromethylsulfanyl)-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 171252358
3-[(4R)-4-amino-3,4-dihydro-2H-chromen-6-yl]propanoic acid
CID 165354380
4-carbamoyl-3,4-dihydro-2H-chromene-6-sulfonyl chloride
CID 65367733
6-phenoxy-3,4-dihydro-2H-chromen-4-amine
CID 43155037
2-[(4R)-4-amino-3,4-dihydro-2H-chromen-6-yl]acetonitrile
CID 130700557
7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-amine
CID 43155060
(4R)-6-(trifluoromethoxy)-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 91844836
ethyl 6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxylate
CID 65379594
cyclobutyl 6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxylate
CID 65382512

Frequently Asked Questions

What is the IUPAC name of (4S)-6-methylsulfonyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4S)-6-methylsulfonyl-3,4-dihydro-2H-chromen-4-amine (CID 131548792) is (4S)-6-methylsulfonyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4S)-6-methylsulfonyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4S)-6-methylsulfonyl-3,4-dihydro-2H-chromen-4-amine is CS(=O)(=O)c1ccc2c(c1)[C@@H](N)CCO2.
What is the InChIKey of (4S)-6-methylsulfonyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is OQPMUTCQXQNSOA-VIFPVBQESA-N. The full InChI is InChI=1S/C10H13NO3S/c1-15(12,13)7-2-3-10-8(6-7)9(11)4-5-14-10/h2-3,6,9H,4-5,11H2,1H3/t9-/m0/s1.
What are the key properties of (4S)-6-methylsulfonyl-3,4-dihydro-2H-chromen-4-amine?
(4S)-6-methylsulfonyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 227.28 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-methylsulfonyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 131548792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).