(6S)-N,N-dimethyl-1'-(4-methylphenyl)sulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide

C20H26N4O4S — CID 97440359

IUPAC(6S)-N,N-dimethyl-1'-(4-methylphenyl)sulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC3(CC2)O[C@H](C(=O)N(C)C)Cn2ccnc23)cc1
InChIInChI=1S/C20H26N4O4S/c1-15-4-6-16(7-5-15)29(26,27)24-11-8-20(9-12-24)19-21-10-13-23(19)14-17(28-20)18(25)22(2)3/h4-7,10,13,17H,8-9,11-12,14H2,1-3H3/t17-/m0/s1
InChIKeyLTILUVPBFGYRDO-KRWDZBQOSA-N
MW418.52 g/mol
LogP1.36
Rot. Bonds3

About (6S)-N,N-dimethyl-1'-(4-methylphenyl)sulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide

(6S)-N,N-dimethyl-1'-(4-methylphenyl)sulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide (PubChem CID 97440359) has the molecular formula C20H26N4O4S and a molecular weight of 418.52 g/mol. Its IUPAC name is (6S)-N,N-dimethyl-1'-(4-methylphenyl)sulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide.

Molecular Properties

Compound Name(6S)-N,N-dimethyl-1'-(4-methylphenyl)sulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
PubChem CID97440359
Molecular FormulaC20H26N4O4S
Molecular Weight418.52 g/mol
Exact Mass418.17
IUPAC Name(6S)-N,N-dimethyl-1'-(4-methylphenyl)sulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC3(CC2)O[C@H](C(=O)N(C)C)Cn2ccnc23)cc1
InChIInChI=1S/C20H26N4O4S/c1-15-4-6-16(7-5-15)29(26,27)24-11-8-20(9-12-24)19-21-10-13-23(19)14-17(28-20)18(25)22(2)3/h4-7,10,13,17H,8-9,11-12,14H2,1-3H3/t17-/m0/s1
InChIKeyLTILUVPBFGYRDO-KRWDZBQOSA-N
XLogP1.36
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6S)-N,N-dimethyl-1'-(4-methylphenyl)sulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The IUPAC name of (6S)-N,N-dimethyl-1'-(4-methylphenyl)sulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide (CID 97440359) is (6S)-N,N-dimethyl-1'-(4-methylphenyl)sulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide.
What is the SMILES notation for (6S)-N,N-dimethyl-1'-(4-methylphenyl)sulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The canonical SMILES for (6S)-N,N-dimethyl-1'-(4-methylphenyl)sulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide is Cc1ccc(S(=O)(=O)N2CCC3(CC2)O[C@H](C(=O)N(C)C)Cn2ccnc23)cc1.
What is the InChIKey of (6S)-N,N-dimethyl-1'-(4-methylphenyl)sulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The InChIKey is LTILUVPBFGYRDO-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H26N4O4S/c1-15-4-6-16(7-5-15)29(26,27)24-11-8-20(9-12-24)19-21-10-13-23(19)14-17(28-20)18(25)22(2)3/h4-7,10,13,17H,8-9,11-12,14H2,1-3H3/t17-/m0/s1.
What are the key properties of (6S)-N,N-dimethyl-1'-(4-methylphenyl)sulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
(6S)-N,N-dimethyl-1'-(4-methylphenyl)sulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide has a molecular weight of 418.52 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N,N-dimethyl-1'-(4-methylphenyl)sulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide is sourced from PubChem (CID 97440359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).