N-[(4-methylsulfonyloxan-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine

C14H24F3NO3S — CID 75508680

IUPACN-[(4-methylsulfonyloxan-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCS(=O)(=O)C1(CNC2CCC(C(F)(F)F)CC2)CCOCC1
InChIInChI=1S/C14H24F3NO3S/c1-22(19,20)13(6-8-21-9-7-13)10-18-12-4-2-11(3-5-12)14(15,16)17/h11-12,18H,2-10H2,1H3
InChIKeyBPZXDNPHSRGHDK-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.29
Rot. Bonds4

About N-[(4-methylsulfonyloxan-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine

N-[(4-methylsulfonyloxan-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 75508680) has the molecular formula C14H24F3NO3S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-[(4-methylsulfonyloxan-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[(4-methylsulfonyloxan-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID75508680
Molecular FormulaC14H24F3NO3S
Molecular Weight343.41 g/mol
Exact Mass343.14
IUPAC NameN-[(4-methylsulfonyloxan-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCS(=O)(=O)C1(CNC2CCC(C(F)(F)F)CC2)CCOCC1
InChIInChI=1S/C14H24F3NO3S/c1-22(19,20)13(6-8-21-9-7-13)10-18-12-4-2-11(3-5-12)14(15,16)17/h11-12,18H,2-10H2,1H3
InChIKeyBPZXDNPHSRGHDK-UHFFFAOYSA-N
XLogP2.29
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylsulfonyloxan-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[(4-methylsulfonyloxan-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine (CID 75508680) is N-[(4-methylsulfonyloxan-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[(4-methylsulfonyloxan-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[(4-methylsulfonyloxan-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine is CS(=O)(=O)C1(CNC2CCC(C(F)(F)F)CC2)CCOCC1.
What is the InChIKey of N-[(4-methylsulfonyloxan-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is BPZXDNPHSRGHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO3S/c1-22(19,20)13(6-8-21-9-7-13)10-18-12-4-2-11(3-5-12)14(15,16)17/h11-12,18H,2-10H2,1H3.
What are the key properties of N-[(4-methylsulfonyloxan-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
N-[(4-methylsulfonyloxan-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 343.41 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylsulfonyloxan-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 75508680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).