cis-(1S,3R)-N-[(1S,3R)-3-[(S)-ethylsulfinyl]cyclohexyl]-3-(trifluoromethyl)cyclohexan-1-amine

C15H26F3NOS — CID 124829993

IUPACcis-(1S,3R)-N-[(1S,3R)-3-[(S)-ethylsulfinyl]cyclohexyl]-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCC[S@](=O)[C@@H]1CCC[C@H](N[C@H]2CCC[C@@H](C(F)(F)F)C2)C1
InChIInChI=1S/C15H26F3NOS/c1-2-21(20)14-8-4-7-13(10-14)19-12-6-3-5-11(9-12)15(16,17)18/h11-14,19H,2-10H2,1H3/t11-,12+,13+,14-,21+/m1/s1
InChIKeyWVPMWODPKGAPPX-NNULKFFLSA-N
MW325.44 g/mol
LogP3.78
Rot. Bonds4

About cis-(1S,3R)-N-[(1S,3R)-3-[(S)-ethylsulfinyl]cyclohexyl]-3-(trifluoromethyl)cyclohexan-1-amine

cis-(1S,3R)-N-[(1S,3R)-3-[(S)-ethylsulfinyl]cyclohexyl]-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 124829993) has the molecular formula C15H26F3NOS and a molecular weight of 325.44 g/mol. Its IUPAC name is cis-(1S,3R)-N-[(1S,3R)-3-[(S)-ethylsulfinyl]cyclohexyl]-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1S,3R)-N-[(1S,3R)-3-[(S)-ethylsulfinyl]cyclohexyl]-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID124829993
Molecular FormulaC15H26F3NOS
Molecular Weight325.44 g/mol
Exact Mass325.17
IUPAC Namecis-(1S,3R)-N-[(1S,3R)-3-[(S)-ethylsulfinyl]cyclohexyl]-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCC[S@](=O)[C@@H]1CCC[C@H](N[C@H]2CCC[C@@H](C(F)(F)F)C2)C1
InChIInChI=1S/C15H26F3NOS/c1-2-21(20)14-8-4-7-13(10-14)19-12-6-3-5-11(9-12)15(16,17)18/h11-14,19H,2-10H2,1H3/t11-,12+,13+,14-,21+/m1/s1
InChIKeyWVPMWODPKGAPPX-NNULKFFLSA-N
XLogP3.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze cis-(1S,3R)-N-[(1S,3R)-3-[(S)-ethylsulfinyl]cyclohexyl]-3-(trifluoromethyl)cyclohexan-1-amine with MolForge

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Related Compounds

trans-(1R,3R)-3-(trifluoromethyl)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
CID 39870295
3,4-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
CID 64746000
1-[(3S)-3-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]pyrrolidin-1-yl]propan-1-one
CID 129430039
N-(3-ethylsulfinylcyclohexyl)-5-methylpyrimidin-2-amine
CID 133403997
N-[3-(trifluoromethyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43434428
1-methylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]piperidin-4-amine
CID 64757172
1-(3-ethylsulfinylcyclohexyl)-2-methylguanidine
CID 109439505
1-methyl-3-[[3-(trifluoromethyl)cyclohexyl]amino]pyrrolidin-2-one
CID 102613000
2-ethyl-3-(3-ethylsulfinylcyclohexyl)-1,1-dimethylguanidine;hydroiodide
CID 109437174
N-[3-(trifluoromethyl)cyclohexyl]pyrrolidin-3-amine
CID 79731027
(2S)-2-methyl-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]butanamide
CID 100835824
N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanesulfonamide
CID 129369369

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-N-[(1S,3R)-3-[(S)-ethylsulfinyl]cyclohexyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of cis-(1S,3R)-N-[(1S,3R)-3-[(S)-ethylsulfinyl]cyclohexyl]-3-(trifluoromethyl)cyclohexan-1-amine (CID 124829993) is cis-(1S,3R)-N-[(1S,3R)-3-[(S)-ethylsulfinyl]cyclohexyl]-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for cis-(1S,3R)-N-[(1S,3R)-3-[(S)-ethylsulfinyl]cyclohexyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for cis-(1S,3R)-N-[(1S,3R)-3-[(S)-ethylsulfinyl]cyclohexyl]-3-(trifluoromethyl)cyclohexan-1-amine is CC[S@](=O)[C@@H]1CCC[C@H](N[C@H]2CCC[C@@H](C(F)(F)F)C2)C1.
What is the InChIKey of cis-(1S,3R)-N-[(1S,3R)-3-[(S)-ethylsulfinyl]cyclohexyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is WVPMWODPKGAPPX-NNULKFFLSA-N. The full InChI is InChI=1S/C15H26F3NOS/c1-2-21(20)14-8-4-7-13(10-14)19-12-6-3-5-11(9-12)15(16,17)18/h11-14,19H,2-10H2,1H3/t11-,12+,13+,14-,21+/m1/s1.
What are the key properties of cis-(1S,3R)-N-[(1S,3R)-3-[(S)-ethylsulfinyl]cyclohexyl]-3-(trifluoromethyl)cyclohexan-1-amine?
cis-(1S,3R)-N-[(1S,3R)-3-[(S)-ethylsulfinyl]cyclohexyl]-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 325.44 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-N-[(1S,3R)-3-[(S)-ethylsulfinyl]cyclohexyl]-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 124829993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).