N-[(2S)-1-methoxybutan-2-yl]-3-(pentafluoro-λ6-sulfanyl)aniline

C11H16F5NOS — CID 99821901

IUPACN-[(2S)-1-methoxybutan-2-yl]-3-(pentafluoro-λ6-sulfanyl)aniline
SMILESCC[C@@H](COC)Nc1cccc(S(F)(F)(F)(F)F)c1
InChIInChI=1S/C11H16F5NOS/c1-3-9(8-18-2)17-10-5-4-6-11(7-10)19(12,13,14,15)16/h4-7,9,17H,3,8H2,1-2H3/t9-/m0/s1
InChIKeyRLKOUZFPSUWEGS-VIFPVBQESA-N
MW305.31 g/mol
LogP5.18
Rot. Bonds6

About N-[(2S)-1-methoxybutan-2-yl]-3-(pentafluoro-λ6-sulfanyl)aniline

N-[(2S)-1-methoxybutan-2-yl]-3-(pentafluoro-λ6-sulfanyl)aniline (PubChem CID 99821901) has the molecular formula C11H16F5NOS and a molecular weight of 305.31 g/mol. Its IUPAC name is N-[(2S)-1-methoxybutan-2-yl]-3-(pentafluoro-λ6-sulfanyl)aniline.

Molecular Properties

Compound NameN-[(2S)-1-methoxybutan-2-yl]-3-(pentafluoro-λ6-sulfanyl)aniline
PubChem CID99821901
Molecular FormulaC11H16F5NOS
Molecular Weight305.31 g/mol
Exact Mass305.09
IUPAC NameN-[(2S)-1-methoxybutan-2-yl]-3-(pentafluoro-λ6-sulfanyl)aniline
SMILESCC[C@@H](COC)Nc1cccc(S(F)(F)(F)(F)F)c1
InChIInChI=1S/C11H16F5NOS/c1-3-9(8-18-2)17-10-5-4-6-11(7-10)19(12,13,14,15)16/h4-7,9,17H,3,8H2,1-2H3/t9-/m0/s1
InChIKeyRLKOUZFPSUWEGS-VIFPVBQESA-N
XLogP5.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.31
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methoxycyclohexyl)-3-(methylsulfanyl)aniline
CID 2851334
2-fluoro-N-(1-methoxypropan-2-yl)aniline
CID 62535628
2-fluoro-N-(1-methoxybutan-2-yl)aniline
CID 64396081
2-fluoro-N-(2-methoxyethyl)-4-(trifluoromethylsulfanyl)aniline
CID 91581358
N-Methyl-3-(pentafluoro-l6-sulfanyl)aniline
CID 130659576
(1-Anilino-4-methoxybutyl) thiohypofluorite
CID 153529595
2-methoxy-N-[3-(pentafluoro-lambda6-sulfanyl)phenyl]acetamide
CID 177288091
2,5-difluoro-N-(2-methoxyethyl)aniline
CID 28574542
3,4-difluoro-N-(2-methoxyethyl)aniline
CID 28579883
2,4-difluoro-N-(2-methoxyethyl)aniline
CID 28582802
N-(2-butoxyethyl)-2-(difluoromethylsulfanyl)aniline
CID 54956445
N-(2-butoxyethyl)-2,3,4-trifluoroaniline
CID 54956495

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-methoxybutan-2-yl]-3-(pentafluoro-λ6-sulfanyl)aniline?
The IUPAC name of N-[(2S)-1-methoxybutan-2-yl]-3-(pentafluoro-λ6-sulfanyl)aniline (CID 99821901) is N-[(2S)-1-methoxybutan-2-yl]-3-(pentafluoro-λ6-sulfanyl)aniline.
What is the SMILES notation for N-[(2S)-1-methoxybutan-2-yl]-3-(pentafluoro-λ6-sulfanyl)aniline?
The canonical SMILES for N-[(2S)-1-methoxybutan-2-yl]-3-(pentafluoro-λ6-sulfanyl)aniline is CC[C@@H](COC)Nc1cccc(S(F)(F)(F)(F)F)c1.
What is the InChIKey of N-[(2S)-1-methoxybutan-2-yl]-3-(pentafluoro-λ6-sulfanyl)aniline?
The InChIKey is RLKOUZFPSUWEGS-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16F5NOS/c1-3-9(8-18-2)17-10-5-4-6-11(7-10)19(12,13,14,15)16/h4-7,9,17H,3,8H2,1-2H3/t9-/m0/s1.
What are the key properties of N-[(2S)-1-methoxybutan-2-yl]-3-(pentafluoro-λ6-sulfanyl)aniline?
N-[(2S)-1-methoxybutan-2-yl]-3-(pentafluoro-λ6-sulfanyl)aniline has a molecular weight of 305.31 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-methoxybutan-2-yl]-3-(pentafluoro-λ6-sulfanyl)aniline is sourced from PubChem (CID 99821901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).