(S)-2-methyl-N-[(1S)-1-naphthalen-1-ylethyl]propane-2-sulfinamide

C16H21NOS — CID 134954895

IUPAC(S)-2-methyl-N-[(1S)-1-naphthalen-1-ylethyl]propane-2-sulfinamide
SMILESC[C@H](N[S@@](=O)C(C)(C)C)c1cccc2ccccc12
InChIInChI=1S/C16H21NOS/c1-12(17-19(18)16(2,3)4)14-11-7-9-13-8-5-6-10-15(13)14/h5-12,17H,1-4H3/t12-,19-/m0/s1
InChIKeyISOGDOOHJYGHAT-BUXKBTBVSA-N
MW275.42 g/mol
LogP3.95
Rot. Bonds3

About (S)-2-methyl-N-[(1S)-1-naphthalen-1-ylethyl]propane-2-sulfinamide

(S)-2-methyl-N-[(1S)-1-naphthalen-1-ylethyl]propane-2-sulfinamide (PubChem CID 134954895) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is (S)-2-methyl-N-[(1S)-1-naphthalen-1-ylethyl]propane-2-sulfinamide.

Molecular Properties

Compound Name(S)-2-methyl-N-[(1S)-1-naphthalen-1-ylethyl]propane-2-sulfinamide
PubChem CID134954895
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name(S)-2-methyl-N-[(1S)-1-naphthalen-1-ylethyl]propane-2-sulfinamide
SMILESC[C@H](N[S@@](=O)C(C)(C)C)c1cccc2ccccc12
InChIInChI=1S/C16H21NOS/c1-12(17-19(18)16(2,3)4)14-11-7-9-13-8-5-6-10-15(13)14/h5-12,17H,1-4H3/t12-,19-/m0/s1
InChIKeyISOGDOOHJYGHAT-BUXKBTBVSA-N
XLogP3.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (S)-2-methyl-N-[(1S)-1-naphthalen-1-ylethyl]propane-2-sulfinamide?
The IUPAC name of (S)-2-methyl-N-[(1S)-1-naphthalen-1-ylethyl]propane-2-sulfinamide (CID 134954895) is (S)-2-methyl-N-[(1S)-1-naphthalen-1-ylethyl]propane-2-sulfinamide.
What is the SMILES notation for (S)-2-methyl-N-[(1S)-1-naphthalen-1-ylethyl]propane-2-sulfinamide?
The canonical SMILES for (S)-2-methyl-N-[(1S)-1-naphthalen-1-ylethyl]propane-2-sulfinamide is C[C@H](N[S@@](=O)C(C)(C)C)c1cccc2ccccc12.
What is the InChIKey of (S)-2-methyl-N-[(1S)-1-naphthalen-1-ylethyl]propane-2-sulfinamide?
The InChIKey is ISOGDOOHJYGHAT-BUXKBTBVSA-N. The full InChI is InChI=1S/C16H21NOS/c1-12(17-19(18)16(2,3)4)14-11-7-9-13-8-5-6-10-15(13)14/h5-12,17H,1-4H3/t12-,19-/m0/s1.
What are the key properties of (S)-2-methyl-N-[(1S)-1-naphthalen-1-ylethyl]propane-2-sulfinamide?
(S)-2-methyl-N-[(1S)-1-naphthalen-1-ylethyl]propane-2-sulfinamide has a molecular weight of 275.42 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-2-methyl-N-[(1S)-1-naphthalen-1-ylethyl]propane-2-sulfinamide is sourced from PubChem (CID 134954895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).