N-[(2-thiophen-2-yl-3-pyridinyl)methyl]cyclohexanesulfonamide

C16H20N2O2S2 — CID 121166361

IUPACN-[(2-thiophen-2-yl-3-pyridinyl)methyl]cyclohexanesulfonamide
SMILESO=S(=O)(NCc1cccnc1-c1cccs1)C1CCCCC1
InChIInChI=1S/C16H20N2O2S2/c19-22(20,14-7-2-1-3-8-14)18-12-13-6-4-10-17-16(13)15-9-5-11-21-15/h4-6,9-11,14,18H,1-3,7-8,12H2
InChIKeyOBCJRBZCHWOXBF-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.56
Rot. Bonds5

About N-[(2-thiophen-2-yl-3-pyridinyl)methyl]cyclohexanesulfonamide

N-[(2-thiophen-2-yl-3-pyridinyl)methyl]cyclohexanesulfonamide (PubChem CID 121166361) has the molecular formula C16H20N2O2S2 and a molecular weight of 336.48 g/mol. Its IUPAC name is N-[(2-thiophen-2-yl-3-pyridinyl)methyl]cyclohexanesulfonamide.

Molecular Properties

Compound NameN-[(2-thiophen-2-yl-3-pyridinyl)methyl]cyclohexanesulfonamide
PubChem CID121166361
Molecular FormulaC16H20N2O2S2
Molecular Weight336.48 g/mol
Exact Mass336.10
IUPAC NameN-[(2-thiophen-2-yl-3-pyridinyl)methyl]cyclohexanesulfonamide
SMILESO=S(=O)(NCc1cccnc1-c1cccs1)C1CCCCC1
InChIInChI=1S/C16H20N2O2S2/c19-22(20,14-7-2-1-3-8-14)18-12-13-6-4-10-17-16(13)15-9-5-11-21-15/h4-6,9-11,14,18H,1-3,7-8,12H2
InChIKeyOBCJRBZCHWOXBF-UHFFFAOYSA-N
XLogP3.56
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-thiophen-2-yl-3-pyridinyl)methyl]cyclopropanesulfonamide
CID 121166356
N-[(2-thiophen-2-yl-3-pyridinyl)methyl]ethanesulfonamide
CID 121166355
1-cyclopentyl-3-[(2-thiophen-2-yl-3-pyridinyl)methyl]urea
CID 121166342
2-bromo-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 91625864
3,3,3-trifluoro-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propane-1-sulfonamide
CID 91625886
2,4,6-trimethyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 121166387
(E)-2-phenyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]ethenesulfonamide
CID 121166367
3-phenoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propane-1-sulfonamide
CID 91625872
(2R)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]oxolane-2-carboxamide
CID 100745825
1-cyclohexyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]methanesulfonamide
CID 121177965
1-methyl-2-propan-2-yl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]imidazole-4-sulfonamide
CID 91625884
(3S)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]oxolane-3-carboxamide
CID 100746069

Frequently Asked Questions

What is the IUPAC name of N-[(2-thiophen-2-yl-3-pyridinyl)methyl]cyclohexanesulfonamide?
The IUPAC name of N-[(2-thiophen-2-yl-3-pyridinyl)methyl]cyclohexanesulfonamide (CID 121166361) is N-[(2-thiophen-2-yl-3-pyridinyl)methyl]cyclohexanesulfonamide.
What is the SMILES notation for N-[(2-thiophen-2-yl-3-pyridinyl)methyl]cyclohexanesulfonamide?
The canonical SMILES for N-[(2-thiophen-2-yl-3-pyridinyl)methyl]cyclohexanesulfonamide is O=S(=O)(NCc1cccnc1-c1cccs1)C1CCCCC1.
What is the InChIKey of N-[(2-thiophen-2-yl-3-pyridinyl)methyl]cyclohexanesulfonamide?
The InChIKey is OBCJRBZCHWOXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S2/c19-22(20,14-7-2-1-3-8-14)18-12-13-6-4-10-17-16(13)15-9-5-11-21-15/h4-6,9-11,14,18H,1-3,7-8,12H2.
What are the key properties of N-[(2-thiophen-2-yl-3-pyridinyl)methyl]cyclohexanesulfonamide?
N-[(2-thiophen-2-yl-3-pyridinyl)methyl]cyclohexanesulfonamide has a molecular weight of 336.48 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-thiophen-2-yl-3-pyridinyl)methyl]cyclohexanesulfonamide is sourced from PubChem (CID 121166361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).