(S)-N-[1-[2-[[(S)-tert-butylsulfinyl]amino]naphthalen-1-yl]naphthalen-2-yl]-2-methylpropane-2-sulfinamide

C28H32N2O2S2 — CID 163788130

IUPAC(S)-N-[1-[2-[[(S)-tert-butylsulfinyl]amino]naphthalen-1-yl]naphthalen-2-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@](=O)Nc1ccc2ccccc2c1-c1c(N[S@@](=O)C(C)(C)C)ccc2ccccc12
InChIInChI=1S/C28H32N2O2S2/c1-27(2,3)33(31)29-23-17-15-19-11-7-9-13-21(19)25(23)26-22-14-10-8-12-20(22)16-18-24(26)30-34(32)28(4,5)6/h7-18,29-30H,1-6H3/t33-,34-/m0/s1
InChIKeyMUIHJJCDQOKZEE-HEVIKAOCSA-N
MW492.71 g/mol
LogP7.41
Rot. Bonds5

About (S)-N-[1-[2-[[(S)-tert-butylsulfinyl]amino]naphthalen-1-yl]naphthalen-2-yl]-2-methylpropane-2-sulfinamide

(S)-N-[1-[2-[[(S)-tert-butylsulfinyl]amino]naphthalen-1-yl]naphthalen-2-yl]-2-methylpropane-2-sulfinamide (PubChem CID 163788130) has the molecular formula C28H32N2O2S2 and a molecular weight of 492.71 g/mol. Its IUPAC name is (S)-N-[1-[2-[[(S)-tert-butylsulfinyl]amino]naphthalen-1-yl]naphthalen-2-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(S)-N-[1-[2-[[(S)-tert-butylsulfinyl]amino]naphthalen-1-yl]naphthalen-2-yl]-2-methylpropane-2-sulfinamide
PubChem CID163788130
Molecular FormulaC28H32N2O2S2
Molecular Weight492.71 g/mol
Exact Mass492.19
IUPAC Name(S)-N-[1-[2-[[(S)-tert-butylsulfinyl]amino]naphthalen-1-yl]naphthalen-2-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@](=O)Nc1ccc2ccccc2c1-c1c(N[S@@](=O)C(C)(C)C)ccc2ccccc12
InChIInChI=1S/C28H32N2O2S2/c1-27(2,3)33(31)29-23-17-15-19-11-7-9-13-21(19)25(23)26-22-14-10-8-12-20(22)16-18-24(26)30-34(32)28(4,5)6/h7-18,29-30H,1-6H3/t33-,34-/m0/s1
InChIKeyMUIHJJCDQOKZEE-HEVIKAOCSA-N
XLogP7.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.71
LogP ≤ 57.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-[2-(ethylamino)naphthalen-1-yl]naphthalen-2-amine
CID 13346234
(R)-2-methyl-N-naphthalen-2-ylpropane-2-sulfinamide
CID 57415446
N-[tert-butyl(dimethyl)silyl]-1-[2-[[tert-butyl(dimethyl)silyl]amino]naphthalen-1-yl]naphthalen-2-amine
CID 101234360
2-[(R)-tert-butylsulfinyl]sulfanyl-2-methylpropane;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 11443023
N',N'-ditert-butyl-N-[1-[2-[2-(ditert-butylamino)ethylamino]naphthalen-1-yl]naphthalen-2-yl]ethane-1,2-diamine
CID 58761650
2-hydroxy-N-[1-[2-[(2-hydroxy-2,2-diphenylacetyl)amino]naphthalen-1-yl]naphthalen-2-yl]-2,2-diphenylacetamide
CID 177433826
N-tert-butyl-1-naphthalen-1-ylnaphthalen-2-amine
CID 146334999
2-bromo-1-[(R)-tert-butylsulfinyl]naphthalene
CID 10662790
N-(2-diphenylphosphanylethyl)-1-[2-(2-diphenylphosphanylethylamino)naphthalen-1-yl]naphthalen-2-amine
CID 58761652
N-(pyridin-4-ylmethyl)-1-[2-(pyridin-4-ylmethylamino)naphthalen-1-yl]naphthalen-2-amine
CID 58761741
2-(tert-butylamino)naphthalen-1-ol
CID 70427570
(1-methylnaphthalen-2-yl)hydrazine
CID 55279642

Frequently Asked Questions

What is the IUPAC name of (S)-N-[1-[2-[[(S)-tert-butylsulfinyl]amino]naphthalen-1-yl]naphthalen-2-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (S)-N-[1-[2-[[(S)-tert-butylsulfinyl]amino]naphthalen-1-yl]naphthalen-2-yl]-2-methylpropane-2-sulfinamide (CID 163788130) is (S)-N-[1-[2-[[(S)-tert-butylsulfinyl]amino]naphthalen-1-yl]naphthalen-2-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (S)-N-[1-[2-[[(S)-tert-butylsulfinyl]amino]naphthalen-1-yl]naphthalen-2-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (S)-N-[1-[2-[[(S)-tert-butylsulfinyl]amino]naphthalen-1-yl]naphthalen-2-yl]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@](=O)Nc1ccc2ccccc2c1-c1c(N[S@@](=O)C(C)(C)C)ccc2ccccc12.
What is the InChIKey of (S)-N-[1-[2-[[(S)-tert-butylsulfinyl]amino]naphthalen-1-yl]naphthalen-2-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is MUIHJJCDQOKZEE-HEVIKAOCSA-N. The full InChI is InChI=1S/C28H32N2O2S2/c1-27(2,3)33(31)29-23-17-15-19-11-7-9-13-21(19)25(23)26-22-14-10-8-12-20(22)16-18-24(26)30-34(32)28(4,5)6/h7-18,29-30H,1-6H3/t33-,34-/m0/s1.
What are the key properties of (S)-N-[1-[2-[[(S)-tert-butylsulfinyl]amino]naphthalen-1-yl]naphthalen-2-yl]-2-methylpropane-2-sulfinamide?
(S)-N-[1-[2-[[(S)-tert-butylsulfinyl]amino]naphthalen-1-yl]naphthalen-2-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 492.71 g/mol, XLogP of 7.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-N-[1-[2-[[(S)-tert-butylsulfinyl]amino]naphthalen-1-yl]naphthalen-2-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 163788130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).