(3S)-3-(aminomethyl)-1-(3-methylphenyl)sulfonyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-amine

C15H18N4O3S — CID 118022270

IUPAC(3S)-3-(aminomethyl)-1-(3-methylphenyl)sulfonyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-amine
SMILESCc1cccc(S(=O)(=O)N2C[C@H](CN)Oc3ncc(N)cc32)c1
InChIInChI=1S/C15H18N4O3S/c1-10-3-2-4-13(5-10)23(20,21)19-9-12(7-16)22-15-14(19)6-11(17)8-18-15/h2-6,8,12H,7,9,16-17H2,1H3/t12-/m0/s1
InChIKeyIRLAODSFGYBZBZ-LBPRGKRZSA-N
MW334.40 g/mol
LogP0.89
Rot. Bonds3

About (3S)-3-(aminomethyl)-1-(3-methylphenyl)sulfonyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-amine

(3S)-3-(aminomethyl)-1-(3-methylphenyl)sulfonyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-amine (PubChem CID 118022270) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is (3S)-3-(aminomethyl)-1-(3-methylphenyl)sulfonyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-amine.

Molecular Properties

Compound Name(3S)-3-(aminomethyl)-1-(3-methylphenyl)sulfonyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-amine
PubChem CID118022270
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC Name(3S)-3-(aminomethyl)-1-(3-methylphenyl)sulfonyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-amine
SMILESCc1cccc(S(=O)(=O)N2C[C@H](CN)Oc3ncc(N)cc32)c1
InChIInChI=1S/C15H18N4O3S/c1-10-3-2-4-13(5-10)23(20,21)19-9-12(7-16)22-15-14(19)6-11(17)8-18-15/h2-6,8,12H,7,9,16-17H2,1H3/t12-/m0/s1
InChIKeyIRLAODSFGYBZBZ-LBPRGKRZSA-N
XLogP0.89
TPSA111.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(aminomethyl)-1-(3-bromophenyl)sulfonyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-amine
CID 118022129
tert-butyl N-[[(3S)-1-(3-methylphenyl)sulfonyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydropyrido[2,3-b][1,4]oxazin-3-yl]methyl]carbamate
CID 118033514
(3S)-1-[(3S)-3-methyl-1-(3-methylphenyl)sulfonyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]-3-phenylbutan-2-one
CID 147288456
1-(3-cyclopropylphenyl)sulfonyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-amine
CID 163572788
[(2R)-4-(3-methylphenyl)sulfonylmorpholin-2-yl]methanamine
CID 42252952
1-(7-amino-1-phenyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-3-yl)propan-2-one
CID 59058796
3-[(2S)-6-(5-fluoro-2-methyl-3-pyridinyl)-4-(3-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl]propanoic acid
CID 160774413
2-chloro-6-fluoro-N-[3-methyl-1-(3-methylphenyl)sulfonyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]benzamide
CID 118023325
3-[(2S)-4-(3-methylphenyl)sulfonyl-6-[(E)-2-[2-(trifluoromethyl)-3-pyridinyl]ethenyl]-2,3-dihydro-1,4-benzoxazin-2-yl]propanoic acid
CID 134266029
methyl 2-[[(2S)-6-bromo-4-(3-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-3-hydroxy-2-methylpropanoate
CID 149275652
2,6-dichloro-N-[(3S)-1-(3-chlorophenyl)sulfonyl-3-[(dimethylcarbamoylamino)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]benzamide
CID 118033503
3-[(2S)-6-(3-methoxyphenyl)-4-(3-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl]propan-1-ol
CID 158366642

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(aminomethyl)-1-(3-methylphenyl)sulfonyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-amine?
The IUPAC name of (3S)-3-(aminomethyl)-1-(3-methylphenyl)sulfonyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-amine (CID 118022270) is (3S)-3-(aminomethyl)-1-(3-methylphenyl)sulfonyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-amine.
What is the SMILES notation for (3S)-3-(aminomethyl)-1-(3-methylphenyl)sulfonyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-amine?
The canonical SMILES for (3S)-3-(aminomethyl)-1-(3-methylphenyl)sulfonyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-amine is Cc1cccc(S(=O)(=O)N2C[C@H](CN)Oc3ncc(N)cc32)c1.
What is the InChIKey of (3S)-3-(aminomethyl)-1-(3-methylphenyl)sulfonyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-amine?
The InChIKey is IRLAODSFGYBZBZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-10-3-2-4-13(5-10)23(20,21)19-9-12(7-16)22-15-14(19)6-11(17)8-18-15/h2-6,8,12H,7,9,16-17H2,1H3/t12-/m0/s1.
What are the key properties of (3S)-3-(aminomethyl)-1-(3-methylphenyl)sulfonyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-amine?
(3S)-3-(aminomethyl)-1-(3-methylphenyl)sulfonyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-amine has a molecular weight of 334.40 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(aminomethyl)-1-(3-methylphenyl)sulfonyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-amine is sourced from PubChem (CID 118022270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).