(4R)-4-[[methyl(propan-2-yl)sulfamoyl]amino]-3,4-dihydro-2H-chromene

C13H20N2O3S — CID 94026699

IUPAC(4R)-4-[[methyl(propan-2-yl)sulfamoyl]amino]-3,4-dihydro-2H-chromene
SMILESCC(C)N(C)S(=O)(=O)N[C@@H]1CCOc2ccccc21
InChIInChI=1S/C13H20N2O3S/c1-10(2)15(3)19(16,17)14-12-8-9-18-13-7-5-4-6-11(12)13/h4-7,10,12,14H,8-9H2,1-3H3/t12-/m1/s1
InChIKeyNDGUACGYKIKOFA-GFCCVEGCSA-N
MW284.38 g/mol
LogP1.68
Rot. Bonds4

About (4R)-4-[[methyl(propan-2-yl)sulfamoyl]amino]-3,4-dihydro-2H-chromene

(4R)-4-[[methyl(propan-2-yl)sulfamoyl]amino]-3,4-dihydro-2H-chromene (PubChem CID 94026699) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is (4R)-4-[[methyl(propan-2-yl)sulfamoyl]amino]-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name(4R)-4-[[methyl(propan-2-yl)sulfamoyl]amino]-3,4-dihydro-2H-chromene
PubChem CID94026699
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name(4R)-4-[[methyl(propan-2-yl)sulfamoyl]amino]-3,4-dihydro-2H-chromene
SMILESCC(C)N(C)S(=O)(=O)N[C@@H]1CCOc2ccccc21
InChIInChI=1S/C13H20N2O3S/c1-10(2)15(3)19(16,17)14-12-8-9-18-13-7-5-4-6-11(12)13/h4-7,10,12,14H,8-9H2,1-3H3/t12-/m1/s1
InChIKeyNDGUACGYKIKOFA-GFCCVEGCSA-N
XLogP1.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4R)-3,4-dihydro-2H-chromen-4-yl]methanesulfonamide
CID 94197081
(1S)-4,4-dimethyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]-2,3-dihydro-1H-naphthalene
CID 97209239
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-phenylmethanesulfonamide
CID 33038573
1-(3,4-dihydro-2H-chromen-4-yl)-3-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]urea
CID 55695771
(2R,6R)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2,6-dimethylmorpholine-4-sulfonamide
CID 51930254
(2S)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-methylsulfonylpropanamide
CID 94025535
3-(dimethylsulfamoylamino)-2,3-dihydro-1-benzofuran
CID 110751655
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 35826280
N-propan-2-yloxy-3,4-dihydro-2H-chromen-4-amine
CID 91322782
ethane;N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 143399161
1-N-(3,4-dihydro-2H-chromen-4-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 54913047
2-N-(3,4-dihydro-2H-chromen-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82939350

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[[methyl(propan-2-yl)sulfamoyl]amino]-3,4-dihydro-2H-chromene?
The IUPAC name of (4R)-4-[[methyl(propan-2-yl)sulfamoyl]amino]-3,4-dihydro-2H-chromene (CID 94026699) is (4R)-4-[[methyl(propan-2-yl)sulfamoyl]amino]-3,4-dihydro-2H-chromene.
What is the SMILES notation for (4R)-4-[[methyl(propan-2-yl)sulfamoyl]amino]-3,4-dihydro-2H-chromene?
The canonical SMILES for (4R)-4-[[methyl(propan-2-yl)sulfamoyl]amino]-3,4-dihydro-2H-chromene is CC(C)N(C)S(=O)(=O)N[C@@H]1CCOc2ccccc21.
What is the InChIKey of (4R)-4-[[methyl(propan-2-yl)sulfamoyl]amino]-3,4-dihydro-2H-chromene?
The InChIKey is NDGUACGYKIKOFA-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-10(2)15(3)19(16,17)14-12-8-9-18-13-7-5-4-6-11(12)13/h4-7,10,12,14H,8-9H2,1-3H3/t12-/m1/s1.
What are the key properties of (4R)-4-[[methyl(propan-2-yl)sulfamoyl]amino]-3,4-dihydro-2H-chromene?
(4R)-4-[[methyl(propan-2-yl)sulfamoyl]amino]-3,4-dihydro-2H-chromene has a molecular weight of 284.38 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[[methyl(propan-2-yl)sulfamoyl]amino]-3,4-dihydro-2H-chromene is sourced from PubChem (CID 94026699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).