N-[1-(2-cyclohexylacetyl)azetidin-3-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide

C18H27N3O3S — CID 91913617

IUPACN-[1-(2-cyclohexylacetyl)azetidin-3-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide
SMILESCS(=O)(=O)N(Cc1cccnc1)C1CN(C(=O)CC2CCCCC2)C1
InChIInChI=1S/C18H27N3O3S/c1-25(23,24)21(12-16-8-5-9-19-11-16)17-13-20(14-17)18(22)10-15-6-3-2-4-7-15/h5,8-9,11,15,17H,2-4,6-7,10,12-14H2,1H3
InChIKeyFFWQXKMNZYHMAI-UHFFFAOYSA-N
MW365.50 g/mol
LogP2.02
Rot. Bonds6

About N-[1-(2-cyclohexylacetyl)azetidin-3-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide

N-[1-(2-cyclohexylacetyl)azetidin-3-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide (PubChem CID 91913617) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is N-[1-(2-cyclohexylacetyl)azetidin-3-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide.

Molecular Properties

Compound NameN-[1-(2-cyclohexylacetyl)azetidin-3-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide
PubChem CID91913617
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC NameN-[1-(2-cyclohexylacetyl)azetidin-3-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide
SMILESCS(=O)(=O)N(Cc1cccnc1)C1CN(C(=O)CC2CCCCC2)C1
InChIInChI=1S/C18H27N3O3S/c1-25(23,24)21(12-16-8-5-9-19-11-16)17-13-20(14-17)18(22)10-15-6-3-2-4-7-15/h5,8-9,11,15,17H,2-4,6-7,10,12-14H2,1H3
InChIKeyFFWQXKMNZYHMAI-UHFFFAOYSA-N
XLogP2.02
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-cyclohexylacetyl)azetidin-3-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide?
The IUPAC name of N-[1-(2-cyclohexylacetyl)azetidin-3-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide (CID 91913617) is N-[1-(2-cyclohexylacetyl)azetidin-3-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide.
What is the SMILES notation for N-[1-(2-cyclohexylacetyl)azetidin-3-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide?
The canonical SMILES for N-[1-(2-cyclohexylacetyl)azetidin-3-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide is CS(=O)(=O)N(Cc1cccnc1)C1CN(C(=O)CC2CCCCC2)C1.
What is the InChIKey of N-[1-(2-cyclohexylacetyl)azetidin-3-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide?
The InChIKey is FFWQXKMNZYHMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S/c1-25(23,24)21(12-16-8-5-9-19-11-16)17-13-20(14-17)18(22)10-15-6-3-2-4-7-15/h5,8-9,11,15,17H,2-4,6-7,10,12-14H2,1H3.
What are the key properties of N-[1-(2-cyclohexylacetyl)azetidin-3-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide?
N-[1-(2-cyclohexylacetyl)azetidin-3-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide has a molecular weight of 365.50 g/mol, XLogP of 2.02, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-cyclohexylacetyl)azetidin-3-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide is sourced from PubChem (CID 91913617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).