(3S)-3-[[cyclohexyl(methyl)sulfamoyl]amino]-2,3-dihydro-1-benzofuran

C15H22N2O3S — CID 95592046

IUPAC(3S)-3-[[cyclohexyl(methyl)sulfamoyl]amino]-2,3-dihydro-1-benzofuran
SMILESCN(C1CCCCC1)S(=O)(=O)N[C@@H]1COc2ccccc21
InChIInChI=1S/C15H22N2O3S/c1-17(12-7-3-2-4-8-12)21(18,19)16-14-11-20-15-10-6-5-9-13(14)15/h5-6,9-10,12,14,16H,2-4,7-8,11H2,1H3/t14-/m1/s1
InChIKeyBBEJEKHTWBUQAM-CQSZACIVSA-N
MW310.42 g/mol
LogP2.22
Rot. Bonds4

About (3S)-3-[[cyclohexyl(methyl)sulfamoyl]amino]-2,3-dihydro-1-benzofuran

(3S)-3-[[cyclohexyl(methyl)sulfamoyl]amino]-2,3-dihydro-1-benzofuran (PubChem CID 95592046) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is (3S)-3-[[cyclohexyl(methyl)sulfamoyl]amino]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name(3S)-3-[[cyclohexyl(methyl)sulfamoyl]amino]-2,3-dihydro-1-benzofuran
PubChem CID95592046
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name(3S)-3-[[cyclohexyl(methyl)sulfamoyl]amino]-2,3-dihydro-1-benzofuran
SMILESCN(C1CCCCC1)S(=O)(=O)N[C@@H]1COc2ccccc21
InChIInChI=1S/C15H22N2O3S/c1-17(12-7-3-2-4-8-12)21(18,19)16-14-11-20-15-10-6-5-9-13(14)15/h5-6,9-10,12,14,16H,2-4,7-8,11H2,1H3/t14-/m1/s1
InChIKeyBBEJEKHTWBUQAM-CQSZACIVSA-N
XLogP2.22
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-3-[[cyclohexyl(methyl)sulfamoyl]amino]-2,3-dihydro-1-benzofuran with MolForge

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Related Compounds

3-(dimethylsulfamoylamino)-2,3-dihydro-1-benzofuran
CID 110751655
N-(2,3-dihydro-1-benzofuran-3-yl)ethanesulfonamide
CID 62065932
N-(2,3-dihydro-1-benzofuran-3-yl)propane-2-sulfonamide
CID 62066112
(4R)-4-[[methyl(propan-2-yl)sulfamoyl]amino]-3,4-dihydro-2H-chromene
CID 94026699
2-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)benzenesulfonamide
CID 110751703
3-N-cyclohexyl-3-N-methyl-3,4-dihydro-2H-chromene-3,4-diamine
CID 60725605
N-(2,3-dihydro-1-benzofuran-3-yl)-3-(methylamino)propane-1-sulfonamide
CID 106067237
6-amino-1-[[cyclohexyl(methyl)sulfamoyl]amino]-1,2,3,4-tetrahydronaphthalene;hydrochloride
CID 120722191
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]methanesulfonamide
CID 94197081
2-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)-4-methylbenzenesulfonamide
CID 62066677
trans-(1S,2S)-1-[[cyclohexyl(methyl)sulfamoyl]amino]-2-hydroxycyclohexane
CID 94415076
N-(2,3-dimethylcyclohexyl)-2,3-dihydro-1-benzofuran-3-amine
CID 64763118

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[cyclohexyl(methyl)sulfamoyl]amino]-2,3-dihydro-1-benzofuran?
The IUPAC name of (3S)-3-[[cyclohexyl(methyl)sulfamoyl]amino]-2,3-dihydro-1-benzofuran (CID 95592046) is (3S)-3-[[cyclohexyl(methyl)sulfamoyl]amino]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for (3S)-3-[[cyclohexyl(methyl)sulfamoyl]amino]-2,3-dihydro-1-benzofuran?
The canonical SMILES for (3S)-3-[[cyclohexyl(methyl)sulfamoyl]amino]-2,3-dihydro-1-benzofuran is CN(C1CCCCC1)S(=O)(=O)N[C@@H]1COc2ccccc21.
What is the InChIKey of (3S)-3-[[cyclohexyl(methyl)sulfamoyl]amino]-2,3-dihydro-1-benzofuran?
The InChIKey is BBEJEKHTWBUQAM-CQSZACIVSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-17(12-7-3-2-4-8-12)21(18,19)16-14-11-20-15-10-6-5-9-13(14)15/h5-6,9-10,12,14,16H,2-4,7-8,11H2,1H3/t14-/m1/s1.
What are the key properties of (3S)-3-[[cyclohexyl(methyl)sulfamoyl]amino]-2,3-dihydro-1-benzofuran?
(3S)-3-[[cyclohexyl(methyl)sulfamoyl]amino]-2,3-dihydro-1-benzofuran has a molecular weight of 310.42 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[cyclohexyl(methyl)sulfamoyl]amino]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 95592046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).