N-propan-2-yl-3,4-dihydro-2H-thiochromene-6-sulfonamide

C12H17NO2S2 — CID 110760869

IUPACN-propan-2-yl-3,4-dihydro-2H-thiochromene-6-sulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc2c(c1)CCCS2
InChIInChI=1S/C12H17NO2S2/c1-9(2)13-17(14,15)11-5-6-12-10(8-11)4-3-7-16-12/h5-6,8-9,13H,3-4,7H2,1-2H3
InChIKeyFVDYWGWZHFSMLL-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.41
Rot. Bonds3

About N-propan-2-yl-3,4-dihydro-2H-thiochromene-6-sulfonamide

N-propan-2-yl-3,4-dihydro-2H-thiochromene-6-sulfonamide (PubChem CID 110760869) has the molecular formula C12H17NO2S2 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-propan-2-yl-3,4-dihydro-2H-thiochromene-6-sulfonamide.

Molecular Properties

Compound NameN-propan-2-yl-3,4-dihydro-2H-thiochromene-6-sulfonamide
PubChem CID110760869
Molecular FormulaC12H17NO2S2
Molecular Weight271.41 g/mol
Exact Mass271.07
IUPAC NameN-propan-2-yl-3,4-dihydro-2H-thiochromene-6-sulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc2c(c1)CCCS2
InChIInChI=1S/C12H17NO2S2/c1-9(2)13-17(14,15)11-5-6-12-10(8-11)4-3-7-16-12/h5-6,8-9,13H,3-4,7H2,1-2H3
InChIKeyFVDYWGWZHFSMLL-UHFFFAOYSA-N
XLogP2.41
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-oxo-N-propan-2-yl-5H-benzo[b][1]benzothiepine-3-sulfonamide
CID 158225984
N-(4-acetamido-3-chlorophenyl)sulfonyl-3,4-dihydro-2H-thiochromene-6-carboxamide
CID 167900637
N-[(2R)-1-hydroxypropan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 39086781
N-(1-thiophen-2-ylethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 43001337
methyl 2-(3,4-dihydro-2H-thiochromen-6-yl)-2-(methylamino)acetate
CID 116857043
1-(3,4-dihydro-2H-thiochromen-6-yl)-2,2,2-trifluoro-N-methylethanamine
CID 116961411
(2R)-3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)butanoic acid
CID 79009391
N-(1-phenylethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 42913053
1-ethyl-2-oxo-N-propan-2-yl-3,4-dihydroquinoline-6-sulfonamide
CID 119055614
N-(1-chloro-3-methylbutan-2-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 79267831
N-(1-methoxypropan-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 51170060
methyl (2R)-2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)propanoate
CID 113257635

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3,4-dihydro-2H-thiochromene-6-sulfonamide?
The IUPAC name of N-propan-2-yl-3,4-dihydro-2H-thiochromene-6-sulfonamide (CID 110760869) is N-propan-2-yl-3,4-dihydro-2H-thiochromene-6-sulfonamide.
What is the SMILES notation for N-propan-2-yl-3,4-dihydro-2H-thiochromene-6-sulfonamide?
The canonical SMILES for N-propan-2-yl-3,4-dihydro-2H-thiochromene-6-sulfonamide is CC(C)NS(=O)(=O)c1ccc2c(c1)CCCS2.
What is the InChIKey of N-propan-2-yl-3,4-dihydro-2H-thiochromene-6-sulfonamide?
The InChIKey is FVDYWGWZHFSMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S2/c1-9(2)13-17(14,15)11-5-6-12-10(8-11)4-3-7-16-12/h5-6,8-9,13H,3-4,7H2,1-2H3.
What are the key properties of N-propan-2-yl-3,4-dihydro-2H-thiochromene-6-sulfonamide?
N-propan-2-yl-3,4-dihydro-2H-thiochromene-6-sulfonamide has a molecular weight of 271.41 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3,4-dihydro-2H-thiochromene-6-sulfonamide is sourced from PubChem (CID 110760869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).