(3S)-8-methyl-3-(sulfamoylamino)-3,4-dihydro-2H-chromene

C10H14N2O3S — CID 125143199

IUPAC(3S)-8-methyl-3-(sulfamoylamino)-3,4-dihydro-2H-chromene
SMILESCc1cccc2c1OC[C@@H](NS(N)(=O)=O)C2
InChIInChI=1S/C10H14N2O3S/c1-7-3-2-4-8-5-9(6-15-10(7)8)12-16(11,13)14/h2-4,9,12H,5-6H2,1H3,(H2,11,13,14)/t9-/m0/s1
InChIKeyKYDGSUAEPZXGLP-VIFPVBQESA-N
MW242.30 g/mol
LogP0.09
Rot. Bonds2

About (3S)-8-methyl-3-(sulfamoylamino)-3,4-dihydro-2H-chromene

(3S)-8-methyl-3-(sulfamoylamino)-3,4-dihydro-2H-chromene (PubChem CID 125143199) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is (3S)-8-methyl-3-(sulfamoylamino)-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name(3S)-8-methyl-3-(sulfamoylamino)-3,4-dihydro-2H-chromene
PubChem CID125143199
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name(3S)-8-methyl-3-(sulfamoylamino)-3,4-dihydro-2H-chromene
SMILESCc1cccc2c1OC[C@@H](NS(N)(=O)=O)C2
InChIInChI=1S/C10H14N2O3S/c1-7-3-2-4-8-5-9(6-15-10(7)8)12-16(11,13)14/h2-4,9,12H,5-6H2,1H3,(H2,11,13,14)/t9-/m0/s1
InChIKeyKYDGSUAEPZXGLP-VIFPVBQESA-N
XLogP0.09
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 ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-8-methyl-3-(sulfamoylamino)-3,4-dihydro-2H-chromene?
The IUPAC name of (3S)-8-methyl-3-(sulfamoylamino)-3,4-dihydro-2H-chromene (CID 125143199) is (3S)-8-methyl-3-(sulfamoylamino)-3,4-dihydro-2H-chromene.
What is the SMILES notation for (3S)-8-methyl-3-(sulfamoylamino)-3,4-dihydro-2H-chromene?
The canonical SMILES for (3S)-8-methyl-3-(sulfamoylamino)-3,4-dihydro-2H-chromene is Cc1cccc2c1OC[C@@H](NS(N)(=O)=O)C2.
What is the InChIKey of (3S)-8-methyl-3-(sulfamoylamino)-3,4-dihydro-2H-chromene?
The InChIKey is KYDGSUAEPZXGLP-VIFPVBQESA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-7-3-2-4-8-5-9(6-15-10(7)8)12-16(11,13)14/h2-4,9,12H,5-6H2,1H3,(H2,11,13,14)/t9-/m0/s1.
What are the key properties of (3S)-8-methyl-3-(sulfamoylamino)-3,4-dihydro-2H-chromene?
(3S)-8-methyl-3-(sulfamoylamino)-3,4-dihydro-2H-chromene has a molecular weight of 242.30 g/mol, XLogP of 0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-8-methyl-3-(sulfamoylamino)-3,4-dihydro-2H-chromene is sourced from PubChem (CID 125143199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).