(2R,6S)-N-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]-2,6-dimethylmorpholine-4-sulfonamide

C15H21ClN2O3S2 — CID 100851391

IUPAC(2R,6S)-N-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]-2,6-dimethylmorpholine-4-sulfonamide
SMILESC[C@@H]1CN(S(=O)(=O)N[C@H]2CCSc3ccc(Cl)cc32)C[C@H](C)O1
InChIInChI=1S/C15H21ClN2O3S2/c1-10-8-18(9-11(2)21-10)23(19,20)17-14-5-6-22-15-4-3-12(16)7-13(14)15/h3-4,7,10-11,14,17H,5-6,8-9H2,1-2H3/t10-,11+,14-/m0/s1
InChIKeyBFCQCNFFTWESFD-WDMOLILDSA-N
MW376.93 g/mol
LogP2.82
Rot. Bonds3

About (2R,6S)-N-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]-2,6-dimethylmorpholine-4-sulfonamide

(2R,6S)-N-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]-2,6-dimethylmorpholine-4-sulfonamide (PubChem CID 100851391) has the molecular formula C15H21ClN2O3S2 and a molecular weight of 376.93 g/mol. Its IUPAC name is (2R,6S)-N-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]-2,6-dimethylmorpholine-4-sulfonamide.

Molecular Properties

Compound Name(2R,6S)-N-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]-2,6-dimethylmorpholine-4-sulfonamide
PubChem CID100851391
Molecular FormulaC15H21ClN2O3S2
Molecular Weight376.93 g/mol
Exact Mass376.07
IUPAC Name(2R,6S)-N-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]-2,6-dimethylmorpholine-4-sulfonamide
SMILESC[C@@H]1CN(S(=O)(=O)N[C@H]2CCSc3ccc(Cl)cc32)C[C@H](C)O1
InChIInChI=1S/C15H21ClN2O3S2/c1-10-8-18(9-11(2)21-10)23(19,20)17-14-5-6-22-15-4-3-12(16)7-13(14)15/h3-4,7,10-11,14,17H,5-6,8-9H2,1-2H3/t10-,11+,14-/m0/s1
InChIKeyBFCQCNFFTWESFD-WDMOLILDSA-N
XLogP2.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.93
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-N-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]-2,6-dimethylmorpholine-4-sulfonamide?
The IUPAC name of (2R,6S)-N-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]-2,6-dimethylmorpholine-4-sulfonamide (CID 100851391) is (2R,6S)-N-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]-2,6-dimethylmorpholine-4-sulfonamide.
What is the SMILES notation for (2R,6S)-N-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]-2,6-dimethylmorpholine-4-sulfonamide?
The canonical SMILES for (2R,6S)-N-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]-2,6-dimethylmorpholine-4-sulfonamide is C[C@@H]1CN(S(=O)(=O)N[C@H]2CCSc3ccc(Cl)cc32)C[C@H](C)O1.
What is the InChIKey of (2R,6S)-N-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]-2,6-dimethylmorpholine-4-sulfonamide?
The InChIKey is BFCQCNFFTWESFD-WDMOLILDSA-N. The full InChI is InChI=1S/C15H21ClN2O3S2/c1-10-8-18(9-11(2)21-10)23(19,20)17-14-5-6-22-15-4-3-12(16)7-13(14)15/h3-4,7,10-11,14,17H,5-6,8-9H2,1-2H3/t10-,11+,14-/m0/s1.
What are the key properties of (2R,6S)-N-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]-2,6-dimethylmorpholine-4-sulfonamide?
(2R,6S)-N-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]-2,6-dimethylmorpholine-4-sulfonamide has a molecular weight of 376.93 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-N-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]-2,6-dimethylmorpholine-4-sulfonamide is sourced from PubChem (CID 100851391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).