(6R)-N,N-diethyl-1'-(2-methylpropylsulfonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide

C19H32N4O4S — CID 97440425

IUPAC(6R)-N,N-diethyl-1'-(2-methylpropylsulfonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
SMILESCCN(CC)C(=O)[C@H]1Cn2ccnc2C2(CCN(S(=O)(=O)CC(C)C)CC2)O1
InChIInChI=1S/C19H32N4O4S/c1-5-21(6-2)17(24)16-13-22-12-9-20-18(22)19(27-16)7-10-23(11-8-19)28(25,26)14-15(3)4/h9,12,15-16H,5-8,10-11,13-14H2,1-4H3/t16-/m1/s1
InChIKeyFYFZDCVQWHXELV-MRXNPFEDSA-N
MW412.56 g/mol
LogP1.43
Rot. Bonds6

About (6R)-N,N-diethyl-1'-(2-methylpropylsulfonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide

(6R)-N,N-diethyl-1'-(2-methylpropylsulfonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide (PubChem CID 97440425) has the molecular formula C19H32N4O4S and a molecular weight of 412.56 g/mol. Its IUPAC name is (6R)-N,N-diethyl-1'-(2-methylpropylsulfonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide.

Molecular Properties

Compound Name(6R)-N,N-diethyl-1'-(2-methylpropylsulfonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
PubChem CID97440425
Molecular FormulaC19H32N4O4S
Molecular Weight412.56 g/mol
Exact Mass412.21
IUPAC Name(6R)-N,N-diethyl-1'-(2-methylpropylsulfonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
SMILESCCN(CC)C(=O)[C@H]1Cn2ccnc2C2(CCN(S(=O)(=O)CC(C)C)CC2)O1
InChIInChI=1S/C19H32N4O4S/c1-5-21(6-2)17(24)16-13-22-12-9-20-18(22)19(27-16)7-10-23(11-8-19)28(25,26)14-15(3)4/h9,12,15-16H,5-8,10-11,13-14H2,1-4H3/t16-/m1/s1
InChIKeyFYFZDCVQWHXELV-MRXNPFEDSA-N
XLogP1.43
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6R)-N,N-diethyl-1'-(2-methylpropylsulfonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The IUPAC name of (6R)-N,N-diethyl-1'-(2-methylpropylsulfonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide (CID 97440425) is (6R)-N,N-diethyl-1'-(2-methylpropylsulfonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide.
What is the SMILES notation for (6R)-N,N-diethyl-1'-(2-methylpropylsulfonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The canonical SMILES for (6R)-N,N-diethyl-1'-(2-methylpropylsulfonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide is CCN(CC)C(=O)[C@H]1Cn2ccnc2C2(CCN(S(=O)(=O)CC(C)C)CC2)O1.
What is the InChIKey of (6R)-N,N-diethyl-1'-(2-methylpropylsulfonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The InChIKey is FYFZDCVQWHXELV-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H32N4O4S/c1-5-21(6-2)17(24)16-13-22-12-9-20-18(22)19(27-16)7-10-23(11-8-19)28(25,26)14-15(3)4/h9,12,15-16H,5-8,10-11,13-14H2,1-4H3/t16-/m1/s1.
What are the key properties of (6R)-N,N-diethyl-1'-(2-methylpropylsulfonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
(6R)-N,N-diethyl-1'-(2-methylpropylsulfonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide has a molecular weight of 412.56 g/mol, XLogP of 1.43, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-N,N-diethyl-1'-(2-methylpropylsulfonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide is sourced from PubChem (CID 97440425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).