(3S)-3-[(dimethylsulfamoylamino)methyl]-7-methoxy-3,4-dihydro-2H-chromene

C13H20N2O4S — CID 97124546

IUPAC(3S)-3-[(dimethylsulfamoylamino)methyl]-7-methoxy-3,4-dihydro-2H-chromene
SMILESCOc1ccc2c(c1)OC[C@H](CNS(=O)(=O)N(C)C)C2
InChIInChI=1S/C13H20N2O4S/c1-15(2)20(16,17)14-8-10-6-11-4-5-12(18-3)7-13(11)19-9-10/h4-5,7,10,14H,6,8-9H2,1-3H3/t10-/m0/s1
InChIKeyKTAMJZXJZCEFMY-JTQLQIEISA-N
MW300.38 g/mol
LogP0.64
Rot. Bonds5

About (3S)-3-[(dimethylsulfamoylamino)methyl]-7-methoxy-3,4-dihydro-2H-chromene

(3S)-3-[(dimethylsulfamoylamino)methyl]-7-methoxy-3,4-dihydro-2H-chromene (PubChem CID 97124546) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is (3S)-3-[(dimethylsulfamoylamino)methyl]-7-methoxy-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name(3S)-3-[(dimethylsulfamoylamino)methyl]-7-methoxy-3,4-dihydro-2H-chromene
PubChem CID97124546
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name(3S)-3-[(dimethylsulfamoylamino)methyl]-7-methoxy-3,4-dihydro-2H-chromene
SMILESCOc1ccc2c(c1)OC[C@H](CNS(=O)(=O)N(C)C)C2
InChIInChI=1S/C13H20N2O4S/c1-15(2)20(16,17)14-8-10-6-11-4-5-12(18-3)7-13(11)19-9-10/h4-5,7,10,14H,6,8-9H2,1-3H3/t10-/m0/s1
InChIKeyKTAMJZXJZCEFMY-JTQLQIEISA-N
XLogP0.64
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrazole-3-sulfonamide
CID 72879552
2-amino-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-methylpropanamide
CID 72923552
N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N',N'-dimethylbutanediamide
CID 97279612
(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methanamine;hydrochloride
CID 74889940
3,3,3-trifluoro-N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]propanamide
CID 97147039
N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine-4-carboxamide
CID 97142134
4,4,4-trifluoro-N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]butanamide
CID 97153393
N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 97275918
N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 97275919
N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide
CID 97268936
N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]thiophene-3-carboxamide
CID 72888189
N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 97122083

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(dimethylsulfamoylamino)methyl]-7-methoxy-3,4-dihydro-2H-chromene?
The IUPAC name of (3S)-3-[(dimethylsulfamoylamino)methyl]-7-methoxy-3,4-dihydro-2H-chromene (CID 97124546) is (3S)-3-[(dimethylsulfamoylamino)methyl]-7-methoxy-3,4-dihydro-2H-chromene.
What is the SMILES notation for (3S)-3-[(dimethylsulfamoylamino)methyl]-7-methoxy-3,4-dihydro-2H-chromene?
The canonical SMILES for (3S)-3-[(dimethylsulfamoylamino)methyl]-7-methoxy-3,4-dihydro-2H-chromene is COc1ccc2c(c1)OC[C@H](CNS(=O)(=O)N(C)C)C2.
What is the InChIKey of (3S)-3-[(dimethylsulfamoylamino)methyl]-7-methoxy-3,4-dihydro-2H-chromene?
The InChIKey is KTAMJZXJZCEFMY-JTQLQIEISA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-15(2)20(16,17)14-8-10-6-11-4-5-12(18-3)7-13(11)19-9-10/h4-5,7,10,14H,6,8-9H2,1-3H3/t10-/m0/s1.
What are the key properties of (3S)-3-[(dimethylsulfamoylamino)methyl]-7-methoxy-3,4-dihydro-2H-chromene?
(3S)-3-[(dimethylsulfamoylamino)methyl]-7-methoxy-3,4-dihydro-2H-chromene has a molecular weight of 300.38 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(dimethylsulfamoylamino)methyl]-7-methoxy-3,4-dihydro-2H-chromene is sourced from PubChem (CID 97124546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).