(R)-N-[(4R)-6-chloro-3,4-dihydro-2H-chromen-4-yl]-2-methylpropane-2-sulfinamide

C13H18ClNO2S — CID 155789629

IUPAC(R)-N-[(4R)-6-chloro-3,4-dihydro-2H-chromen-4-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@@H]1CCOc2ccc(Cl)cc21
InChIInChI=1S/C13H18ClNO2S/c1-13(2,3)18(16)15-11-6-7-17-12-5-4-9(14)8-10(11)12/h4-5,8,11,15H,6-7H2,1-3H3/t11-,18-/m1/s1
InChIKeyDGXXGWIFHGQYEN-ADLMAVQZSA-N
MW287.81 g/mol
LogP3.22
Rot. Bonds2

About (R)-N-[(4R)-6-chloro-3,4-dihydro-2H-chromen-4-yl]-2-methylpropane-2-sulfinamide

(R)-N-[(4R)-6-chloro-3,4-dihydro-2H-chromen-4-yl]-2-methylpropane-2-sulfinamide (PubChem CID 155789629) has the molecular formula C13H18ClNO2S and a molecular weight of 287.81 g/mol. Its IUPAC name is (R)-N-[(4R)-6-chloro-3,4-dihydro-2H-chromen-4-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(4R)-6-chloro-3,4-dihydro-2H-chromen-4-yl]-2-methylpropane-2-sulfinamide
PubChem CID155789629
Molecular FormulaC13H18ClNO2S
Molecular Weight287.81 g/mol
Exact Mass287.07
IUPAC Name(R)-N-[(4R)-6-chloro-3,4-dihydro-2H-chromen-4-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@@H]1CCOc2ccc(Cl)cc21
InChIInChI=1S/C13H18ClNO2S/c1-13(2,3)18(16)15-11-6-7-17-12-5-4-9(14)8-10(11)12/h4-5,8,11,15H,6-7H2,1-3H3/t11-,18-/m1/s1
InChIKeyDGXXGWIFHGQYEN-ADLMAVQZSA-N
XLogP3.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.81
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (R)-N-[(4R)-6-chloro-3,4-dihydro-2H-chromen-4-yl]-2-methylpropane-2-sulfinamide with MolForge

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Related Compounds

N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-2-methylpropane-2-sulfinamide;ethane
CID 159222106
(6-chloro-3,4-dihydro-2H-chromen-4-yl)hydrazine
CID 53403029
3-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-1,1-diethylurea
CID 108742260
2-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)propanamide
CID 108742262
4-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide
CID 108764686
N-(7-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)formamide
CID 110477139
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-methylbenzenesulfonamide
CID 108783097
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-2,3,4-trifluorobenzamide
CID 108742241
(4S)-4-[[(S)-tert-butylsulfinyl]amino]-N-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromene-8-carboxamide
CID 134348603
N-benzyl-6-chloro-3,4-dihydro-2H-chromen-4-amine
CID 12851989
(R)-N-[(4S)-6-bromo-3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl]-2-methylpropane-2-sulfinamide
CID 166118932
3,4-dichloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide
CID 108764672

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(4R)-6-chloro-3,4-dihydro-2H-chromen-4-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(4R)-6-chloro-3,4-dihydro-2H-chromen-4-yl]-2-methylpropane-2-sulfinamide (CID 155789629) is (R)-N-[(4R)-6-chloro-3,4-dihydro-2H-chromen-4-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(4R)-6-chloro-3,4-dihydro-2H-chromen-4-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(4R)-6-chloro-3,4-dihydro-2H-chromen-4-yl]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)N[C@@H]1CCOc2ccc(Cl)cc21.
What is the InChIKey of (R)-N-[(4R)-6-chloro-3,4-dihydro-2H-chromen-4-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is DGXXGWIFHGQYEN-ADLMAVQZSA-N. The full InChI is InChI=1S/C13H18ClNO2S/c1-13(2,3)18(16)15-11-6-7-17-12-5-4-9(14)8-10(11)12/h4-5,8,11,15H,6-7H2,1-3H3/t11-,18-/m1/s1.
What are the key properties of (R)-N-[(4R)-6-chloro-3,4-dihydro-2H-chromen-4-yl]-2-methylpropane-2-sulfinamide?
(R)-N-[(4R)-6-chloro-3,4-dihydro-2H-chromen-4-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 287.81 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(4R)-6-chloro-3,4-dihydro-2H-chromen-4-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 155789629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).