cis-(1R,3S)-N,N-dimethyl-3-[2-methyl-3-(trifluoromethyl)phenyl]cyclohexan-1-amine;2-methyl-6-oxo-N-pyrimidin-4-yl-1H-pyridine-3-sulfonamide;molecular hydrogen

C26H34F3N5O3S — CID 153367606

IUPACcis-(1R,3S)-N,N-dimethyl-3-[2-methyl-3-(trifluoromethyl)phenyl]cyclohexan-1-amine;2-methyl-6-oxo-N-pyrimidin-4-yl-1H-pyridine-3-sulfonamide;molecular hydrogen
SMILESCc1[nH]c(=O)ccc1S(=O)(=O)Nc1ccncn1.Cc1c([C@H]2CCC[C@@H](N(C)C)C2)cccc1C(F)(F)F.[H][H]
InChIInChI=1S/C16H22F3N.C10H10N4O3S.H2/c1-11-14(8-5-9-15(11)16(17,18)19)12-6-4-7-13(10-12)20(2)3;1-7-8(2-3-10(15)13-7)18(16,17)14-9-4-5-11-6-12-9;/h5,8-9,12-13H,4,6-7,10H2,1-3H3;2-6H,1H3,(H,13,15)(H,11,12,14);1H/t12-,13+;;/m0../s1
InChIKeyQOQVAYIDWKVUFB-CQSOCPNPSA-N
MW553.65 g/mol
LogP5.12
Rot. Bonds5

About cis-(1R,3S)-N,N-dimethyl-3-[2-methyl-3-(trifluoromethyl)phenyl]cyclohexan-1-amine;2-methyl-6-oxo-N-pyrimidin-4-yl-1H-pyridine-3-sulfonamide;molecular hydrogen

cis-(1R,3S)-N,N-dimethyl-3-[2-methyl-3-(trifluoromethyl)phenyl]cyclohexan-1-amine;2-methyl-6-oxo-N-pyrimidin-4-yl-1H-pyridine-3-sulfonamide;molecular hydrogen (PubChem CID 153367606) has the molecular formula C26H34F3N5O3S and a molecular weight of 553.65 g/mol. Its IUPAC name is cis-(1R,3S)-N,N-dimethyl-3-[2-methyl-3-(trifluoromethyl)phenyl]cyclohexan-1-amine;2-methyl-6-oxo-N-pyrimidin-4-yl-1H-pyridine-3-sulfonamide;molecular hydrogen.

Molecular Properties

Compound Namecis-(1R,3S)-N,N-dimethyl-3-[2-methyl-3-(trifluoromethyl)phenyl]cyclohexan-1-amine;2-methyl-6-oxo-N-pyrimidin-4-yl-1H-pyridine-3-sulfonamide;molecular hydrogen
PubChem CID153367606
Molecular FormulaC26H34F3N5O3S
Molecular Weight553.65 g/mol
Exact Mass553.23
IUPAC Namecis-(1R,3S)-N,N-dimethyl-3-[2-methyl-3-(trifluoromethyl)phenyl]cyclohexan-1-amine;2-methyl-6-oxo-N-pyrimidin-4-yl-1H-pyridine-3-sulfonamide;molecular hydrogen
SMILESCc1[nH]c(=O)ccc1S(=O)(=O)Nc1ccncn1.Cc1c([C@H]2CCC[C@@H](N(C)C)C2)cccc1C(F)(F)F.[H][H]
InChIInChI=1S/C16H22F3N.C10H10N4O3S.H2/c1-11-14(8-5-9-15(11)16(17,18)19)12-6-4-7-13(10-12)20(2)3;1-7-8(2-3-10(15)13-7)18(16,17)14-9-4-5-11-6-12-9;/h5,8-9,12-13H,4,6-7,10H2,1-3H3;2-6H,1H3,(H,13,15)(H,11,12,14);1H/t12-,13+;;/m0../s1
InChIKeyQOQVAYIDWKVUFB-CQSOCPNPSA-N
XLogP5.12
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.65
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze cis-(1R,3S)-N,N-dimethyl-3-[2-methyl-3-(trifluoromethyl)phenyl]cyclohexan-1-amine;2-methyl-6-oxo-N-pyrimidin-4-yl-1H-pyridine-3-sulfonamide;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-N,N-dimethyl-3-[2-methyl-3-(trifluoromethyl)phenyl]cyclohexan-1-amine;2-methyl-6-oxo-N-pyrimidin-4-yl-1H-pyridine-3-sulfonamide;molecular hydrogen?
The IUPAC name of cis-(1R,3S)-N,N-dimethyl-3-[2-methyl-3-(trifluoromethyl)phenyl]cyclohexan-1-amine;2-methyl-6-oxo-N-pyrimidin-4-yl-1H-pyridine-3-sulfonamide;molecular hydrogen (CID 153367606) is cis-(1R,3S)-N,N-dimethyl-3-[2-methyl-3-(trifluoromethyl)phenyl]cyclohexan-1-amine;2-methyl-6-oxo-N-pyrimidin-4-yl-1H-pyridine-3-sulfonamide;molecular hydrogen.
What is the SMILES notation for cis-(1R,3S)-N,N-dimethyl-3-[2-methyl-3-(trifluoromethyl)phenyl]cyclohexan-1-amine;2-methyl-6-oxo-N-pyrimidin-4-yl-1H-pyridine-3-sulfonamide;molecular hydrogen?
The canonical SMILES for cis-(1R,3S)-N,N-dimethyl-3-[2-methyl-3-(trifluoromethyl)phenyl]cyclohexan-1-amine;2-methyl-6-oxo-N-pyrimidin-4-yl-1H-pyridine-3-sulfonamide;molecular hydrogen is Cc1[nH]c(=O)ccc1S(=O)(=O)Nc1ccncn1.Cc1c([C@H]2CCC[C@@H](N(C)C)C2)cccc1C(F)(F)F.[H][H].
What is the InChIKey of cis-(1R,3S)-N,N-dimethyl-3-[2-methyl-3-(trifluoromethyl)phenyl]cyclohexan-1-amine;2-methyl-6-oxo-N-pyrimidin-4-yl-1H-pyridine-3-sulfonamide;molecular hydrogen?
The InChIKey is QOQVAYIDWKVUFB-CQSOCPNPSA-N. The full InChI is InChI=1S/C16H22F3N.C10H10N4O3S.H2/c1-11-14(8-5-9-15(11)16(17,18)19)12-6-4-7-13(10-12)20(2)3;1-7-8(2-3-10(15)13-7)18(16,17)14-9-4-5-11-6-12-9;/h5,8-9,12-13H,4,6-7,10H2,1-3H3;2-6H,1H3,(H,13,15)(H,11,12,14);1H/t12-,13+;;/m0../s1.
What are the key properties of cis-(1R,3S)-N,N-dimethyl-3-[2-methyl-3-(trifluoromethyl)phenyl]cyclohexan-1-amine;2-methyl-6-oxo-N-pyrimidin-4-yl-1H-pyridine-3-sulfonamide;molecular hydrogen?
cis-(1R,3S)-N,N-dimethyl-3-[2-methyl-3-(trifluoromethyl)phenyl]cyclohexan-1-amine;2-methyl-6-oxo-N-pyrimidin-4-yl-1H-pyridine-3-sulfonamide;molecular hydrogen has a molecular weight of 553.65 g/mol, XLogP of 5.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-N,N-dimethyl-3-[2-methyl-3-(trifluoromethyl)phenyl]cyclohexan-1-amine;2-methyl-6-oxo-N-pyrimidin-4-yl-1H-pyridine-3-sulfonamide;molecular hydrogen is sourced from PubChem (CID 153367606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).