(2R)-N-[2-[di(propan-2-yl)amino]ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide

C18H27N3O2S — CID 27231270

IUPAC(2R)-N-[2-[di(propan-2-yl)amino]ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCC(C)N(CCNC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2)C(C)C
InChIInChI=1S/C18H27N3O2S/c1-11(2)21(12(3)4)9-8-19-18(23)14-6-7-16-15(10-14)20-17(22)13(5)24-16/h6-7,10-13H,8-9H2,1-5H3,(H,19,23)(H,20,22)/t13-/m1/s1
InChIKeyLFAQMWKSAOUKSA-CYBMUJFWSA-N
MW349.50 g/mol
LogP2.97
Rot. Bonds6

About (2R)-N-[2-[di(propan-2-yl)amino]ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide

(2R)-N-[2-[di(propan-2-yl)amino]ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 27231270) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is (2R)-N-[2-[di(propan-2-yl)amino]ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-[di(propan-2-yl)amino]ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
PubChem CID27231270
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC Name(2R)-N-[2-[di(propan-2-yl)amino]ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCC(C)N(CCNC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2)C(C)C
InChIInChI=1S/C18H27N3O2S/c1-11(2)21(12(3)4)9-8-19-18(23)14-6-7-16-15(10-14)20-17(22)13(5)24-16/h6-7,10-13H,8-9H2,1-5H3,(H,19,23)(H,20,22)/t13-/m1/s1
InChIKeyLFAQMWKSAOUKSA-CYBMUJFWSA-N
XLogP2.97
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-N-[2-[di(propan-2-yl)amino]ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide with MolForge

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Related Compounds

2-methyl-N-(2-methylpropyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 42889102
N-butyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 51155062
2-methyl-3-oxo-N-(3-phenoxypropyl)-4H-1,4-benzothiazine-6-carboxamide
CID 51241507
N',N',2-trimethyl-3-oxo-4H-1,4-benzothiazine-6-carbohydrazide
CID 116847999
(2R)-N-[(2R)-2-cyclopropyl-2-(dimethylamino)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 94031945
N-[(2S)-1-aminopropan-2-yl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide;hydrochloride
CID 120508598
N,N,2-trimethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 42886140
N-[(4-chlorophenyl)methyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 51147666
(2R)-N-[2-(2-methoxyphenoxy)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 51545650
(2S)-N-methoxy-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 27745078
2-methyl-3-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-1,4-benzothiazine-6-carboxamide
CID 146579222
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 120946907

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-[di(propan-2-yl)amino]ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of (2R)-N-[2-[di(propan-2-yl)amino]ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide (CID 27231270) is (2R)-N-[2-[di(propan-2-yl)amino]ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for (2R)-N-[2-[di(propan-2-yl)amino]ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for (2R)-N-[2-[di(propan-2-yl)amino]ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide is CC(C)N(CCNC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2)C(C)C.
What is the InChIKey of (2R)-N-[2-[di(propan-2-yl)amino]ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is LFAQMWKSAOUKSA-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H27N3O2S/c1-11(2)21(12(3)4)9-8-19-18(23)14-6-7-16-15(10-14)20-17(22)13(5)24-16/h6-7,10-13H,8-9H2,1-5H3,(H,19,23)(H,20,22)/t13-/m1/s1.
What are the key properties of (2R)-N-[2-[di(propan-2-yl)amino]ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
(2R)-N-[2-[di(propan-2-yl)amino]ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 349.50 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-[di(propan-2-yl)amino]ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 27231270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).