(S)-N-[(1R)-1-(7-bromonaphthalen-2-yl)ethyl]-2-methylpropane-2-sulfinamide

C16H20BrNOS — CID 118582712

IUPAC(S)-N-[(1R)-1-(7-bromonaphthalen-2-yl)ethyl]-2-methylpropane-2-sulfinamide
SMILESC[C@@H](N[S@@](=O)C(C)(C)C)c1ccc2ccc(Br)cc2c1
InChIInChI=1S/C16H20BrNOS/c1-11(18-20(19)16(2,3)4)13-6-5-12-7-8-15(17)10-14(12)9-13/h5-11,18H,1-4H3/t11-,20+/m1/s1
InChIKeyCLQJSZDELGJVDL-GIPWTMENSA-N
MW354.31 g/mol
LogP4.72
Rot. Bonds3

About (S)-N-[(1R)-1-(7-bromonaphthalen-2-yl)ethyl]-2-methylpropane-2-sulfinamide

(S)-N-[(1R)-1-(7-bromonaphthalen-2-yl)ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 118582712) has the molecular formula C16H20BrNOS and a molecular weight of 354.31 g/mol. Its IUPAC name is (S)-N-[(1R)-1-(7-bromonaphthalen-2-yl)ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(S)-N-[(1R)-1-(7-bromonaphthalen-2-yl)ethyl]-2-methylpropane-2-sulfinamide
PubChem CID118582712
Molecular FormulaC16H20BrNOS
Molecular Weight354.31 g/mol
Exact Mass353.04
IUPAC Name(S)-N-[(1R)-1-(7-bromonaphthalen-2-yl)ethyl]-2-methylpropane-2-sulfinamide
SMILESC[C@@H](N[S@@](=O)C(C)(C)C)c1ccc2ccc(Br)cc2c1
InChIInChI=1S/C16H20BrNOS/c1-11(18-20(19)16(2,3)4)13-6-5-12-7-8-15(17)10-14(12)9-13/h5-11,18H,1-4H3/t11-,20+/m1/s1
InChIKeyCLQJSZDELGJVDL-GIPWTMENSA-N
XLogP4.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.31
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(S)-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 86732639
N-[(1R)-1-(3-chloroisoquinolin-6-yl)ethyl]-2-methylpropane-2-sulfinamide
CID 129107018
N-[(1R)-1-(5-bromo-2-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 126531678
(R)-N-[(1S)-1-(4-bromo-3-methoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 176890367
N-[(1S)-1-(2-bromo-4-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
CID 86640807
(R)-N-[(1S)-1-(2-bromo-4-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
CID 59278411
N-[(1S)-1-(4-bromo-2-methoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 139530916
(R)-2-methyl-N-[1-(4-naphthalen-2-yloxyphenyl)ethyl]propane-2-sulfinamide
CID 151330065
2-methyl-N-[1-(4-naphthalen-2-yloxyphenyl)ethyl]propane-2-sulfinamide
CID 154591461
(S)-2-methyl-N-[(1S)-1-(1-methylindazol-5-yl)ethyl]propane-2-sulfinamide
CID 163967880
(R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 118230707
(R)-2-methyl-N-[1-(3-methylphenyl)ethyl]propane-2-sulfinamide
CID 140937180

Frequently Asked Questions

What is the IUPAC name of (S)-N-[(1R)-1-(7-bromonaphthalen-2-yl)ethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (S)-N-[(1R)-1-(7-bromonaphthalen-2-yl)ethyl]-2-methylpropane-2-sulfinamide (CID 118582712) is (S)-N-[(1R)-1-(7-bromonaphthalen-2-yl)ethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (S)-N-[(1R)-1-(7-bromonaphthalen-2-yl)ethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (S)-N-[(1R)-1-(7-bromonaphthalen-2-yl)ethyl]-2-methylpropane-2-sulfinamide is C[C@@H](N[S@@](=O)C(C)(C)C)c1ccc2ccc(Br)cc2c1.
What is the InChIKey of (S)-N-[(1R)-1-(7-bromonaphthalen-2-yl)ethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is CLQJSZDELGJVDL-GIPWTMENSA-N. The full InChI is InChI=1S/C16H20BrNOS/c1-11(18-20(19)16(2,3)4)13-6-5-12-7-8-15(17)10-14(12)9-13/h5-11,18H,1-4H3/t11-,20+/m1/s1.
What are the key properties of (S)-N-[(1R)-1-(7-bromonaphthalen-2-yl)ethyl]-2-methylpropane-2-sulfinamide?
(S)-N-[(1R)-1-(7-bromonaphthalen-2-yl)ethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 354.31 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-N-[(1R)-1-(7-bromonaphthalen-2-yl)ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 118582712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).