1-cyclohexyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]methanesulfonamide

C17H22N2O2S2 — CID 121177965

IUPAC1-cyclohexyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]methanesulfonamide
SMILESO=S(=O)(CC1CCCCC1)NCc1cccnc1-c1ccsc1
InChIInChI=1S/C17H22N2O2S2/c20-23(21,13-14-5-2-1-3-6-14)19-11-15-7-4-9-18-17(15)16-8-10-22-12-16/h4,7-10,12,14,19H,1-3,5-6,11,13H2
InChIKeyKYHMZDCUPKIGFK-UHFFFAOYSA-N
MW350.51 g/mol
LogP3.81
Rot. Bonds6

About 1-cyclohexyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]methanesulfonamide

1-cyclohexyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]methanesulfonamide (PubChem CID 121177965) has the molecular formula C17H22N2O2S2 and a molecular weight of 350.51 g/mol. Its IUPAC name is 1-cyclohexyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-cyclohexyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]methanesulfonamide
PubChem CID121177965
Molecular FormulaC17H22N2O2S2
Molecular Weight350.51 g/mol
Exact Mass350.11
IUPAC Name1-cyclohexyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]methanesulfonamide
SMILESO=S(=O)(CC1CCCCC1)NCc1cccnc1-c1ccsc1
InChIInChI=1S/C17H22N2O2S2/c20-23(21,13-14-5-2-1-3-6-14)19-11-15-7-4-9-18-17(15)16-8-10-22-12-16/h4,7-10,12,14,19H,1-3,5-6,11,13H2
InChIKeyKYHMZDCUPKIGFK-UHFFFAOYSA-N
XLogP3.81
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]methanesulfonamide?
The IUPAC name of 1-cyclohexyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]methanesulfonamide (CID 121177965) is 1-cyclohexyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]methanesulfonamide.
What is the SMILES notation for 1-cyclohexyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]methanesulfonamide?
The canonical SMILES for 1-cyclohexyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]methanesulfonamide is O=S(=O)(CC1CCCCC1)NCc1cccnc1-c1ccsc1.
What is the InChIKey of 1-cyclohexyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]methanesulfonamide?
The InChIKey is KYHMZDCUPKIGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S2/c20-23(21,13-14-5-2-1-3-6-14)19-11-15-7-4-9-18-17(15)16-8-10-22-12-16/h4,7-10,12,14,19H,1-3,5-6,11,13H2.
What are the key properties of 1-cyclohexyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]methanesulfonamide?
1-cyclohexyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]methanesulfonamide has a molecular weight of 350.51 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]methanesulfonamide is sourced from PubChem (CID 121177965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).