N-(cyclopropylmethyl)-1-[4-(trifluoromethylsulfanyl)phenyl]sulfonylpiperidin-4-amine

C16H21F3N2O2S2 — CID 119987914

IUPACN-(cyclopropylmethyl)-1-[4-(trifluoromethylsulfanyl)phenyl]sulfonylpiperidin-4-amine
SMILESO=S(=O)(c1ccc(SC(F)(F)F)cc1)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C16H21F3N2O2S2/c17-16(18,19)24-14-3-5-15(6-4-14)25(22,23)21-9-7-13(8-10-21)20-11-12-1-2-12/h3-6,12-13,20H,1-2,7-11H2
InChIKeyUGOAVJOTDACXGQ-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.45
Rot. Bonds6

About N-(cyclopropylmethyl)-1-[4-(trifluoromethylsulfanyl)phenyl]sulfonylpiperidin-4-amine

N-(cyclopropylmethyl)-1-[4-(trifluoromethylsulfanyl)phenyl]sulfonylpiperidin-4-amine (PubChem CID 119987914) has the molecular formula C16H21F3N2O2S2 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-[4-(trifluoromethylsulfanyl)phenyl]sulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-[4-(trifluoromethylsulfanyl)phenyl]sulfonylpiperidin-4-amine
PubChem CID119987914
Molecular FormulaC16H21F3N2O2S2
Molecular Weight394.48 g/mol
Exact Mass394.10
IUPAC NameN-(cyclopropylmethyl)-1-[4-(trifluoromethylsulfanyl)phenyl]sulfonylpiperidin-4-amine
SMILESO=S(=O)(c1ccc(SC(F)(F)F)cc1)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C16H21F3N2O2S2/c17-16(18,19)24-14-3-5-15(6-4-14)25(22,23)21-9-7-13(8-10-21)20-11-12-1-2-12/h3-6,12-13,20H,1-2,7-11H2
InChIKeyUGOAVJOTDACXGQ-UHFFFAOYSA-N
XLogP3.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine;hydrochloride
CID 119987428
methyl 4-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonylbenzoate;hydrochloride
CID 119987530
N-(cyclopropylmethyl)-1-(3,4,5-trifluorophenyl)sulfonylpiperidin-4-amine
CID 119987863
3-[1-[4-(trifluoromethylsulfanyl)phenyl]sulfonylpiperidin-4-yl]oxypropan-1-amine;hydrochloride
CID 119992881
N-(cyclopropylmethyl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-amine;hydrochloride
CID 119987824
N-(cyclopropylmethyl)-1-naphthalen-2-ylsulfonylpiperidin-4-amine;hydrochloride
CID 119987587
N-[4-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonylphenyl]propanamide
CID 119987555
N-(cyclopropylmethyl)-1-(1-methylpyrrol-3-yl)sulfonylpiperidin-4-amine
CID 115307191
4-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-N,N-diethylbenzamide
CID 119987844
ethyl 4-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonylbenzoate;hydrochloride
CID 119987752
N-(cyclopropylmethyl)-1-(4-pentoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119987701
N-[5-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-2-fluorophenyl]acetamide;hydrochloride
CID 119987931

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-[4-(trifluoromethylsulfanyl)phenyl]sulfonylpiperidin-4-amine?
The IUPAC name of N-(cyclopropylmethyl)-1-[4-(trifluoromethylsulfanyl)phenyl]sulfonylpiperidin-4-amine (CID 119987914) is N-(cyclopropylmethyl)-1-[4-(trifluoromethylsulfanyl)phenyl]sulfonylpiperidin-4-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-[4-(trifluoromethylsulfanyl)phenyl]sulfonylpiperidin-4-amine?
The canonical SMILES for N-(cyclopropylmethyl)-1-[4-(trifluoromethylsulfanyl)phenyl]sulfonylpiperidin-4-amine is O=S(=O)(c1ccc(SC(F)(F)F)cc1)N1CCC(NCC2CC2)CC1.
What is the InChIKey of N-(cyclopropylmethyl)-1-[4-(trifluoromethylsulfanyl)phenyl]sulfonylpiperidin-4-amine?
The InChIKey is UGOAVJOTDACXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O2S2/c17-16(18,19)24-14-3-5-15(6-4-14)25(22,23)21-9-7-13(8-10-21)20-11-12-1-2-12/h3-6,12-13,20H,1-2,7-11H2.
What are the key properties of N-(cyclopropylmethyl)-1-[4-(trifluoromethylsulfanyl)phenyl]sulfonylpiperidin-4-amine?
N-(cyclopropylmethyl)-1-[4-(trifluoromethylsulfanyl)phenyl]sulfonylpiperidin-4-amine has a molecular weight of 394.48 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-[4-(trifluoromethylsulfanyl)phenyl]sulfonylpiperidin-4-amine is sourced from PubChem (CID 119987914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).