(4S)-N,2,3,3-tetramethyl-4-naphthalen-1-yloxy-4-(3,4,5-trimethylthiophen-2-yl)pentan-2-amine

C26H35NOS — CID 58879407

IUPAC(4S)-N,2,3,3-tetramethyl-4-naphthalen-1-yloxy-4-(3,4,5-trimethylthiophen-2-yl)pentan-2-amine
SMILESCNC(C)(C)C(C)(C)[C@](C)(Oc1cccc2ccccc12)c1sc(C)c(C)c1C
InChIInChI=1S/C26H35NOS/c1-17-18(2)23(29-19(17)3)26(8,24(4,5)25(6,7)27-9)28-22-16-12-14-20-13-10-11-15-21(20)22/h10-16,27H,1-9H3/t26-/m1/s1
InChIKeyVLITUBJIHXEGRJ-AREMUKBSSA-N
MW409.64 g/mol
LogP7.14
Rot. Bonds6

About (4S)-N,2,3,3-tetramethyl-4-naphthalen-1-yloxy-4-(3,4,5-trimethylthiophen-2-yl)pentan-2-amine

(4S)-N,2,3,3-tetramethyl-4-naphthalen-1-yloxy-4-(3,4,5-trimethylthiophen-2-yl)pentan-2-amine (PubChem CID 58879407) has the molecular formula C26H35NOS and a molecular weight of 409.64 g/mol. Its IUPAC name is (4S)-N,2,3,3-tetramethyl-4-naphthalen-1-yloxy-4-(3,4,5-trimethylthiophen-2-yl)pentan-2-amine.

Molecular Properties

Compound Name(4S)-N,2,3,3-tetramethyl-4-naphthalen-1-yloxy-4-(3,4,5-trimethylthiophen-2-yl)pentan-2-amine
PubChem CID58879407
Molecular FormulaC26H35NOS
Molecular Weight409.64 g/mol
Exact Mass409.24
IUPAC Name(4S)-N,2,3,3-tetramethyl-4-naphthalen-1-yloxy-4-(3,4,5-trimethylthiophen-2-yl)pentan-2-amine
SMILESCNC(C)(C)C(C)(C)[C@](C)(Oc1cccc2ccccc12)c1sc(C)c(C)c1C
InChIInChI=1S/C26H35NOS/c1-17-18(2)23(29-19(17)3)26(8,24(4,5)25(6,7)27-9)28-22-16-12-14-20-13-10-11-15-21(20)22/h10-16,27H,1-9H3/t26-/m1/s1
InChIKeyVLITUBJIHXEGRJ-AREMUKBSSA-N
XLogP7.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.64
LogP ≤ 57.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-N,2,3,3-tetramethyl-4-naphthalen-1-yloxy-4-(3,4,5-trimethylthiophen-2-yl)pentan-2-amine?
The IUPAC name of (4S)-N,2,3,3-tetramethyl-4-naphthalen-1-yloxy-4-(3,4,5-trimethylthiophen-2-yl)pentan-2-amine (CID 58879407) is (4S)-N,2,3,3-tetramethyl-4-naphthalen-1-yloxy-4-(3,4,5-trimethylthiophen-2-yl)pentan-2-amine.
What is the SMILES notation for (4S)-N,2,3,3-tetramethyl-4-naphthalen-1-yloxy-4-(3,4,5-trimethylthiophen-2-yl)pentan-2-amine?
The canonical SMILES for (4S)-N,2,3,3-tetramethyl-4-naphthalen-1-yloxy-4-(3,4,5-trimethylthiophen-2-yl)pentan-2-amine is CNC(C)(C)C(C)(C)[C@](C)(Oc1cccc2ccccc12)c1sc(C)c(C)c1C.
What is the InChIKey of (4S)-N,2,3,3-tetramethyl-4-naphthalen-1-yloxy-4-(3,4,5-trimethylthiophen-2-yl)pentan-2-amine?
The InChIKey is VLITUBJIHXEGRJ-AREMUKBSSA-N. The full InChI is InChI=1S/C26H35NOS/c1-17-18(2)23(29-19(17)3)26(8,24(4,5)25(6,7)27-9)28-22-16-12-14-20-13-10-11-15-21(20)22/h10-16,27H,1-9H3/t26-/m1/s1.
What are the key properties of (4S)-N,2,3,3-tetramethyl-4-naphthalen-1-yloxy-4-(3,4,5-trimethylthiophen-2-yl)pentan-2-amine?
(4S)-N,2,3,3-tetramethyl-4-naphthalen-1-yloxy-4-(3,4,5-trimethylthiophen-2-yl)pentan-2-amine has a molecular weight of 409.64 g/mol, XLogP of 7.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N,2,3,3-tetramethyl-4-naphthalen-1-yloxy-4-(3,4,5-trimethylthiophen-2-yl)pentan-2-amine is sourced from PubChem (CID 58879407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).