(2R,4R)-2-methyl-4-(sulfamoylamino)-3,4-dihydro-2H-chromene

C10H14N2O3S — CID 165409978

IUPAC(2R,4R)-2-methyl-4-(sulfamoylamino)-3,4-dihydro-2H-chromene
SMILESC[C@@H]1C[C@@H](NS(N)(=O)=O)c2ccccc2O1
InChIInChI=1S/C10H14N2O3S/c1-7-6-9(12-16(11,13)14)8-4-2-3-5-10(8)15-7/h2-5,7,9,12H,6H2,1H3,(H2,11,13,14)/t7-,9-/m1/s1
InChIKeyJYUFCDKFUOMQDU-VXNVDRBHSA-N
MW242.30 g/mol
LogP0.69
Rot. Bonds2

About (2R,4R)-2-methyl-4-(sulfamoylamino)-3,4-dihydro-2H-chromene

(2R,4R)-2-methyl-4-(sulfamoylamino)-3,4-dihydro-2H-chromene (PubChem CID 165409978) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is (2R,4R)-2-methyl-4-(sulfamoylamino)-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name(2R,4R)-2-methyl-4-(sulfamoylamino)-3,4-dihydro-2H-chromene
PubChem CID165409978
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name(2R,4R)-2-methyl-4-(sulfamoylamino)-3,4-dihydro-2H-chromene
SMILESC[C@@H]1C[C@@H](NS(N)(=O)=O)c2ccccc2O1
InChIInChI=1S/C10H14N2O3S/c1-7-6-9(12-16(11,13)14)8-4-2-3-5-10(8)15-7/h2-5,7,9,12H,6H2,1H3,(H2,11,13,14)/t7-,9-/m1/s1
InChIKeyJYUFCDKFUOMQDU-VXNVDRBHSA-N
XLogP0.69
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R,4R)-2-methyl-3,4-dihydro-2H-chromen-4-yl]methanesulfonamide
CID 165409949
2-methyl-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 122360387
S-[[(2S,4S)-2-methyl-3,4-dihydro-2H-chromen-4-yl]methyl]thiohydroxylamine
CID 165409808
2-[(2R)-2-methyl-3,4-dihydro-2H-chromen-4-yl]acetic acid
CID 57035759
1-(sulfamoylamino)-1,2,3,4-tetrahydronaphthalene
CID 45117542
5-cyano-4-methyl-N-[(2R,4R)-2-methyl-3,4-dihydro-2H-chromen-4-yl]pyridine-2-carboxamide
CID 167750989
methyl 2-[4-[[(2R,4R)-2-methyl-3,4-dihydro-2H-chromen-4-yl]carbamoyl]phenoxy]acetate
CID 136582428
3-(dimethylsulfamoylamino)-2,3-dihydro-1-benzofuran
CID 110751655
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]methanesulfonamide
CID 94197081
N-(2,3-dihydro-1-benzofuran-3-yl)ethanesulfonamide
CID 62065932
N,2,8-trimethyl-3,4-dihydro-2H-chromen-4-amine
CID 43536914
N-(2,3-dihydro-1-benzofuran-3-yl)propane-2-sulfonamide
CID 62066112

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-methyl-4-(sulfamoylamino)-3,4-dihydro-2H-chromene?
The IUPAC name of (2R,4R)-2-methyl-4-(sulfamoylamino)-3,4-dihydro-2H-chromene (CID 165409978) is (2R,4R)-2-methyl-4-(sulfamoylamino)-3,4-dihydro-2H-chromene.
What is the SMILES notation for (2R,4R)-2-methyl-4-(sulfamoylamino)-3,4-dihydro-2H-chromene?
The canonical SMILES for (2R,4R)-2-methyl-4-(sulfamoylamino)-3,4-dihydro-2H-chromene is C[C@@H]1C[C@@H](NS(N)(=O)=O)c2ccccc2O1.
What is the InChIKey of (2R,4R)-2-methyl-4-(sulfamoylamino)-3,4-dihydro-2H-chromene?
The InChIKey is JYUFCDKFUOMQDU-VXNVDRBHSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-7-6-9(12-16(11,13)14)8-4-2-3-5-10(8)15-7/h2-5,7,9,12H,6H2,1H3,(H2,11,13,14)/t7-,9-/m1/s1.
What are the key properties of (2R,4R)-2-methyl-4-(sulfamoylamino)-3,4-dihydro-2H-chromene?
(2R,4R)-2-methyl-4-(sulfamoylamino)-3,4-dihydro-2H-chromene has a molecular weight of 242.30 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-methyl-4-(sulfamoylamino)-3,4-dihydro-2H-chromene is sourced from PubChem (CID 165409978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).