(6S)-N-[2-(4-chlorophenyl)sulfonylethyl]-2,2,6-trimethylmorpholine-4-carboxamide

C16H23ClN2O4S — CID 95137726

IUPAC(6S)-N-[2-(4-chlorophenyl)sulfonylethyl]-2,2,6-trimethylmorpholine-4-carboxamide
SMILESC[C@H]1CN(C(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)CC(C)(C)O1
InChIInChI=1S/C16H23ClN2O4S/c1-12-10-19(11-16(2,3)23-12)15(20)18-8-9-24(21,22)14-6-4-13(17)5-7-14/h4-7,12H,8-11H2,1-3H3,(H,18,20)/t12-/m0/s1
InChIKeySKLSXNJHRPQBGI-LBPRGKRZSA-N
MW374.89 g/mol
LogP2.32
Rot. Bonds4

About (6S)-N-[2-(4-chlorophenyl)sulfonylethyl]-2,2,6-trimethylmorpholine-4-carboxamide

(6S)-N-[2-(4-chlorophenyl)sulfonylethyl]-2,2,6-trimethylmorpholine-4-carboxamide (PubChem CID 95137726) has the molecular formula C16H23ClN2O4S and a molecular weight of 374.89 g/mol. Its IUPAC name is (6S)-N-[2-(4-chlorophenyl)sulfonylethyl]-2,2,6-trimethylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(6S)-N-[2-(4-chlorophenyl)sulfonylethyl]-2,2,6-trimethylmorpholine-4-carboxamide
PubChem CID95137726
Molecular FormulaC16H23ClN2O4S
Molecular Weight374.89 g/mol
Exact Mass374.11
IUPAC Name(6S)-N-[2-(4-chlorophenyl)sulfonylethyl]-2,2,6-trimethylmorpholine-4-carboxamide
SMILESC[C@H]1CN(C(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)CC(C)(C)O1
InChIInChI=1S/C16H23ClN2O4S/c1-12-10-19(11-16(2,3)23-12)15(20)18-8-9-24(21,22)14-6-4-13(17)5-7-14/h4-7,12H,8-11H2,1-3H3,(H,18,20)/t12-/m0/s1
InChIKeySKLSXNJHRPQBGI-LBPRGKRZSA-N
XLogP2.32
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.89
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenyl)sulfonylethyl]azetidine-1-carboxamide
CID 132968648
N-[2-(4-chlorophenyl)sulfonylethyl]-3-(trifluoromethyl)piperidine-1-carboxamide
CID 75405079
(2S)-2-hydroxy-4-[(2,2,6-trimethylmorpholine-4-carbonyl)amino]butanoic acid
CID 107839512
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2,2,6-trimethylmorpholine-4-carboxamide
CID 48713605
(6R)-2,2,6-trimethyl-N-[2-(4-nitropyrazol-1-yl)ethyl]morpholine-4-carboxamide
CID 124588364
2-(4-chlorophenyl)sulfonylethylcarbamic acid
CID 54308728
N-(5-acetamido-2-chlorophenyl)-2,2,6-trimethylmorpholine-4-carboxamide
CID 48641749
N-(2-chloroethyl)-3-(4-chlorophenyl)sulfonylazetidine-1-carboxamide
CID 90595114
(6R)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-2,2,6-trimethylmorpholine-4-carboxamide
CID 95352082
N-[(2-methoxy-3-pyridinyl)methyl]-2,2,6-trimethylmorpholine-4-carboxamide
CID 48712863
[5-chloro-2-(methylamino)phenyl]-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 62174797
[5-chloro-2-(ethylamino)phenyl]-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 62174798

Frequently Asked Questions

What is the IUPAC name of (6S)-N-[2-(4-chlorophenyl)sulfonylethyl]-2,2,6-trimethylmorpholine-4-carboxamide?
The IUPAC name of (6S)-N-[2-(4-chlorophenyl)sulfonylethyl]-2,2,6-trimethylmorpholine-4-carboxamide (CID 95137726) is (6S)-N-[2-(4-chlorophenyl)sulfonylethyl]-2,2,6-trimethylmorpholine-4-carboxamide.
What is the SMILES notation for (6S)-N-[2-(4-chlorophenyl)sulfonylethyl]-2,2,6-trimethylmorpholine-4-carboxamide?
The canonical SMILES for (6S)-N-[2-(4-chlorophenyl)sulfonylethyl]-2,2,6-trimethylmorpholine-4-carboxamide is C[C@H]1CN(C(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)CC(C)(C)O1.
What is the InChIKey of (6S)-N-[2-(4-chlorophenyl)sulfonylethyl]-2,2,6-trimethylmorpholine-4-carboxamide?
The InChIKey is SKLSXNJHRPQBGI-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H23ClN2O4S/c1-12-10-19(11-16(2,3)23-12)15(20)18-8-9-24(21,22)14-6-4-13(17)5-7-14/h4-7,12H,8-11H2,1-3H3,(H,18,20)/t12-/m0/s1.
What are the key properties of (6S)-N-[2-(4-chlorophenyl)sulfonylethyl]-2,2,6-trimethylmorpholine-4-carboxamide?
(6S)-N-[2-(4-chlorophenyl)sulfonylethyl]-2,2,6-trimethylmorpholine-4-carboxamide has a molecular weight of 374.89 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-[2-(4-chlorophenyl)sulfonylethyl]-2,2,6-trimethylmorpholine-4-carboxamide is sourced from PubChem (CID 95137726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).