(3S)-3-[(diethylsulfamoylamino)methyl]-3,4-dihydro-2H-chromene

C14H22N2O3S — CID 94201312

IUPAC(3S)-3-[(diethylsulfamoylamino)methyl]-3,4-dihydro-2H-chromene
SMILESCCN(CC)S(=O)(=O)NC[C@H]1COc2ccccc2C1
InChIInChI=1S/C14H22N2O3S/c1-3-16(4-2)20(17,18)15-10-12-9-13-7-5-6-8-14(13)19-11-12/h5-8,12,15H,3-4,9-11H2,1-2H3/t12-/m0/s1
InChIKeyVBMKCMUDBLLTBR-LBPRGKRZSA-N
MW298.41 g/mol
LogP1.41
Rot. Bonds6

About (3S)-3-[(diethylsulfamoylamino)methyl]-3,4-dihydro-2H-chromene

(3S)-3-[(diethylsulfamoylamino)methyl]-3,4-dihydro-2H-chromene (PubChem CID 94201312) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is (3S)-3-[(diethylsulfamoylamino)methyl]-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name(3S)-3-[(diethylsulfamoylamino)methyl]-3,4-dihydro-2H-chromene
PubChem CID94201312
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name(3S)-3-[(diethylsulfamoylamino)methyl]-3,4-dihydro-2H-chromene
SMILESCCN(CC)S(=O)(=O)NC[C@H]1COc2ccccc2C1
InChIInChI=1S/C14H22N2O3S/c1-3-16(4-2)20(17,18)15-10-12-9-13-7-5-6-8-14(13)19-11-12/h5-8,12,15H,3-4,9-11H2,1-2H3/t12-/m0/s1
InChIKeyVBMKCMUDBLLTBR-LBPRGKRZSA-N
XLogP1.41
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzenesulfonamide
CID 51238108
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3,4-dimethylbenzenesulfonamide
CID 51238126
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3,5-difluorobenzenesulfonamide
CID 51238121
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-propylpyrazole-3-sulfonamide
CID 72914852
3,4-dihydro-2H-chromen-3-ylmethylhydrazine
CID 63589103
1-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-ethylurea
CID 47117479
3-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methylsulfamoyl]-N-methylbenzamide
CID 97146768
3-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methylsulfamoyl]-N-methylbenzamide
CID 97146767
3-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzene-1,3-disulfonamide
CID 55512090
4-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methylsulfamoyl]-N-methylthiophene-2-carboxamide
CID 97117712
2-(3,4-dihydro-2H-chromen-3-yl)acetaldehyde
CID 142734505
3-cyano-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzenesulfonamide
CID 51238144

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(diethylsulfamoylamino)methyl]-3,4-dihydro-2H-chromene?
The IUPAC name of (3S)-3-[(diethylsulfamoylamino)methyl]-3,4-dihydro-2H-chromene (CID 94201312) is (3S)-3-[(diethylsulfamoylamino)methyl]-3,4-dihydro-2H-chromene.
What is the SMILES notation for (3S)-3-[(diethylsulfamoylamino)methyl]-3,4-dihydro-2H-chromene?
The canonical SMILES for (3S)-3-[(diethylsulfamoylamino)methyl]-3,4-dihydro-2H-chromene is CCN(CC)S(=O)(=O)NC[C@H]1COc2ccccc2C1.
What is the InChIKey of (3S)-3-[(diethylsulfamoylamino)methyl]-3,4-dihydro-2H-chromene?
The InChIKey is VBMKCMUDBLLTBR-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-3-16(4-2)20(17,18)15-10-12-9-13-7-5-6-8-14(13)19-11-12/h5-8,12,15H,3-4,9-11H2,1-2H3/t12-/m0/s1.
What are the key properties of (3S)-3-[(diethylsulfamoylamino)methyl]-3,4-dihydro-2H-chromene?
(3S)-3-[(diethylsulfamoylamino)methyl]-3,4-dihydro-2H-chromene has a molecular weight of 298.41 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(diethylsulfamoylamino)methyl]-3,4-dihydro-2H-chromene is sourced from PubChem (CID 94201312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).