tert-butyl 7-[ethyl(propyl)amino]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxylate

C17H27N3O2S — CID 91077426

IUPACtert-butyl 7-[ethyl(propyl)amino]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxylate
SMILESCCCN(CC)c1cnc2c(c1)N(C(=O)OC(C)(C)C)CCS2
InChIInChI=1S/C17H27N3O2S/c1-6-8-19(7-2)13-11-14-15(18-12-13)23-10-9-20(14)16(21)22-17(3,4)5/h11-12H,6-10H2,1-5H3
InChIKeyYFIJHEUSYXAGCX-UHFFFAOYSA-N
MW337.49 g/mol
LogP4.17
Rot. Bonds4

About tert-butyl 7-[ethyl(propyl)amino]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxylate

tert-butyl 7-[ethyl(propyl)amino]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxylate (PubChem CID 91077426) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is tert-butyl 7-[ethyl(propyl)amino]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-[ethyl(propyl)amino]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxylate
PubChem CID91077426
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC Nametert-butyl 7-[ethyl(propyl)amino]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxylate
SMILESCCCN(CC)c1cnc2c(c1)N(C(=O)OC(C)(C)C)CCS2
InChIInChI=1S/C17H27N3O2S/c1-6-8-19(7-2)13-11-14-15(18-12-13)23-10-9-20(14)16(21)22-17(3,4)5/h11-12H,6-10H2,1-5H3
InChIKeyYFIJHEUSYXAGCX-UHFFFAOYSA-N
XLogP4.17
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 6-amino-2,3-dihydro-1,4-benzothiazine-4-carboxylate
CID 61038495
tert-butyl 7-amino-2,3-dihydropyrido[4,3-b][1,4]oxazine-4-carboxylate
CID 171618611
tert-butyl 5-(dipropylamino)-8-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 19919335
tert-butyl 6-bromo-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate
CID 121207730
7-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid
CID 83764036
[8-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-methoxy-oxoazanium
CID 123638202
tert-butyl 6-(N-ethylanilino)-2,3-dihydro-1,4-benzoxazine-4-carboxylate
CID 59261296
tert-butyl 6,7-dihydro-5H-[1,3]thiazolo[5,4-b]pyridine-4-carboxylate
CID 142484543
7-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid
CID 83763781
tert-butyl N-[6-(dipropylamino)-3-pyridinyl]carbamate
CID 113015728
tert-butyl 6-butanoyl-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-1-carboxylate
CID 70980251
tert-butyl 6-(1,1-difluoropropyl)-3,3-dimethyl-2H-pyrrolo[3,2-c]pyridine-1-carboxylate
CID 70980231

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-[ethyl(propyl)amino]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxylate?
The IUPAC name of tert-butyl 7-[ethyl(propyl)amino]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxylate (CID 91077426) is tert-butyl 7-[ethyl(propyl)amino]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxylate.
What is the SMILES notation for tert-butyl 7-[ethyl(propyl)amino]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxylate?
The canonical SMILES for tert-butyl 7-[ethyl(propyl)amino]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxylate is CCCN(CC)c1cnc2c(c1)N(C(=O)OC(C)(C)C)CCS2.
What is the InChIKey of tert-butyl 7-[ethyl(propyl)amino]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxylate?
The InChIKey is YFIJHEUSYXAGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-6-8-19(7-2)13-11-14-15(18-12-13)23-10-9-20(14)16(21)22-17(3,4)5/h11-12H,6-10H2,1-5H3.
What are the key properties of tert-butyl 7-[ethyl(propyl)amino]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxylate?
tert-butyl 7-[ethyl(propyl)amino]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxylate has a molecular weight of 337.49 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-[ethyl(propyl)amino]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxylate is sourced from PubChem (CID 91077426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).