(4R)-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine

C17H26N2O3S — CID 99856217

IUPAC(4R)-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
SMILESC[C@H](CN[C@@H]1CCS(=O)(=O)c2ccccc21)N1CCOC[C@@H]1C
InChIInChI=1S/C17H26N2O3S/c1-13(19-8-9-22-12-14(19)2)11-18-16-7-10-23(20,21)17-6-4-3-5-15(16)17/h3-6,13-14,16,18H,7-12H2,1-2H3/t13-,14+,16-/m1/s1
InChIKeyJRGBBMBWNQEOKL-IJEWVQPXSA-N
MW338.47 g/mol
LogP1.60
Rot. Bonds4

About (4R)-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine

(4R)-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 99856217) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is (4R)-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound Name(4R)-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID99856217
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name(4R)-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
SMILESC[C@H](CN[C@@H]1CCS(=O)(=O)c2ccccc21)N1CCOC[C@@H]1C
InChIInChI=1S/C17H26N2O3S/c1-13(19-8-9-22-12-14(19)2)11-18-16-7-10-23(20,21)17-6-4-3-5-15(16)17/h3-6,13-14,16,18H,7-12H2,1-2H3/t13-,14+,16-/m1/s1
InChIKeyJRGBBMBWNQEOKL-IJEWVQPXSA-N
XLogP1.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4R)-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine with MolForge

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Related Compounds

N-(2-methoxypropyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
CID 102696007
1-[(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]butan-2-ol
CID 113491993
N-[(4-methyloxan-4-yl)methyl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
CID 104925172
N-[(2S)-2-[(3S)-3-methylmorpholin-4-yl]propyl]pyridin-2-amine
CID 96527242
N-[(2R)-2-[(3R)-3-methylmorpholin-4-yl]propyl]pyridin-2-amine
CID 129427083
2-ethylsulfonyl-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]aniline
CID 99858133
N-[2-(3-methylmorpholin-4-yl)-2-phenylethyl]cyclopropanamine
CID 55074560
1,1-dioxo-N-(2-phenylethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43761854
(2S)-N-(dicyclopropylmethyl)-2-[(3R)-3-methylmorpholin-4-yl]propan-1-amine
CID 97322384
N-(furan-2-ylmethyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
CID 43754917
N-[(1-methylcyclobutyl)methyl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
CID 104925158
(3R)-3-(4-chlorophenyl)-3-hydroxy-N-[(2R)-2-[(3R)-3-methylmorpholin-4-yl]propyl]propanamide
CID 129423990

Frequently Asked Questions

What is the IUPAC name of (4R)-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of (4R)-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (CID 99856217) is (4R)-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for (4R)-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for (4R)-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine is C[C@H](CN[C@@H]1CCS(=O)(=O)c2ccccc21)N1CCOC[C@@H]1C.
What is the InChIKey of (4R)-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is JRGBBMBWNQEOKL-IJEWVQPXSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-13(19-8-9-22-12-14(19)2)11-18-16-7-10-23(20,21)17-6-4-3-5-15(16)17/h3-6,13-14,16,18H,7-12H2,1-2H3/t13-,14+,16-/m1/s1.
What are the key properties of (4R)-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine?
(4R)-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 338.47 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 99856217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).