N-[(5R,6R)-8-cyclohexyl-6-ethyl-5-methyloctyl]-1,1,1-trifluoromethanesulfonamide

C18H34F3NO2S — CID 143867500

IUPACN-[(5R,6R)-8-cyclohexyl-6-ethyl-5-methyloctyl]-1,1,1-trifluoromethanesulfonamide
SMILESCCC(CCC1CCCCC1)[C@H](C)CCCCNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C18H34F3NO2S/c1-3-17(13-12-16-10-5-4-6-11-16)15(2)9-7-8-14-22-25(23,24)18(19,20)21/h15-17,22H,3-14H2,1-2H3/t15-,17?/m1/s1
InChIKeyDUXSPEKINRYKBQ-LDCVWXEPSA-N
MW385.54 g/mol
LogP5.62
Rot. Bonds11

About N-[(5R,6R)-8-cyclohexyl-6-ethyl-5-methyloctyl]-1,1,1-trifluoromethanesulfonamide

N-[(5R,6R)-8-cyclohexyl-6-ethyl-5-methyloctyl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 143867500) has the molecular formula C18H34F3NO2S and a molecular weight of 385.54 g/mol. Its IUPAC name is N-[(5R,6R)-8-cyclohexyl-6-ethyl-5-methyloctyl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[(5R,6R)-8-cyclohexyl-6-ethyl-5-methyloctyl]-1,1,1-trifluoromethanesulfonamide
PubChem CID143867500
Molecular FormulaC18H34F3NO2S
Molecular Weight385.54 g/mol
Exact Mass385.23
IUPAC NameN-[(5R,6R)-8-cyclohexyl-6-ethyl-5-methyloctyl]-1,1,1-trifluoromethanesulfonamide
SMILESCCC(CCC1CCCCC1)[C@H](C)CCCCNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C18H34F3NO2S/c1-3-17(13-12-16-10-5-4-6-11-16)15(2)9-7-8-14-22-25(23,24)18(19,20)21/h15-17,22H,3-14H2,1-2H3/t15-,17?/m1/s1
InChIKeyDUXSPEKINRYKBQ-LDCVWXEPSA-N
XLogP5.62
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.54
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(5R,6R)-8-cyclohexyl-6-ethyl-5-methyloctyl]-1,1,1-trifluoromethanesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

4-cyclohexylbutane-2-sulfonic acid
CID 88555201
1-(4-cyclohexylbutan-2-yl)-3-[3-(methanesulfonamido)propyl]-2-methylguanidine
CID 109482667
1-cyclopentyl-4-methylhexan-3-ol
CID 115823411
(7-cyclopentyl-3-methylheptyl)cyclopentane
CID 123466678
2-amino-N-(3-cyclohexylpropyl)-3-methylpentanamide
CID 119724279
ethyl (2S)-4-cyclohexyl-2-methylbutanoate
CID 59355198
N-[2-(1,1-dioxothian-4-yl)ethyl]-1,1,1-trifluoromethanesulfonamide
CID 163494699
1,1,1-trifluoro-N-(2-piperidin-2-ylethyl)methanesulfonamide
CID 54471694
5-(cyclohexylmethylsulfonylamino)-2-methylpentanoic acid
CID 104682974
(3R)-3-(4-cyclohexylbutan-2-ylamino)butan-1-ol
CID 103871740
(2S,3S)-2-(3-cyclopentylpropylamino)-3-methylpentanoic acid
CID 122100235
2-butan-2-ylsulfonyl-N-(cyclopentylmethyl)ethanamine
CID 106512704

Frequently Asked Questions

What is the IUPAC name of N-[(5R,6R)-8-cyclohexyl-6-ethyl-5-methyloctyl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[(5R,6R)-8-cyclohexyl-6-ethyl-5-methyloctyl]-1,1,1-trifluoromethanesulfonamide (CID 143867500) is N-[(5R,6R)-8-cyclohexyl-6-ethyl-5-methyloctyl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[(5R,6R)-8-cyclohexyl-6-ethyl-5-methyloctyl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[(5R,6R)-8-cyclohexyl-6-ethyl-5-methyloctyl]-1,1,1-trifluoromethanesulfonamide is CCC(CCC1CCCCC1)[C@H](C)CCCCNS(=O)(=O)C(F)(F)F.
What is the InChIKey of N-[(5R,6R)-8-cyclohexyl-6-ethyl-5-methyloctyl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is DUXSPEKINRYKBQ-LDCVWXEPSA-N. The full InChI is InChI=1S/C18H34F3NO2S/c1-3-17(13-12-16-10-5-4-6-11-16)15(2)9-7-8-14-22-25(23,24)18(19,20)21/h15-17,22H,3-14H2,1-2H3/t15-,17?/m1/s1.
What are the key properties of N-[(5R,6R)-8-cyclohexyl-6-ethyl-5-methyloctyl]-1,1,1-trifluoromethanesulfonamide?
N-[(5R,6R)-8-cyclohexyl-6-ethyl-5-methyloctyl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 385.54 g/mol, XLogP of 5.62, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R,6R)-8-cyclohexyl-6-ethyl-5-methyloctyl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 143867500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).