N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-methoxy-2-methylbenzenesulfonamide

C19H30N2O3S — CID 16887742

IUPACN-[(1-cyclopentylpiperidin-4-yl)methyl]-4-methoxy-2-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2CCN(C3CCCC3)CC2)c(C)c1
InChIInChI=1S/C19H30N2O3S/c1-15-13-18(24-2)7-8-19(15)25(22,23)20-14-16-9-11-21(12-10-16)17-5-3-4-6-17/h7-8,13,16-17,20H,3-6,9-12,14H2,1-2H3
InChIKeyNAYVRRMDPFTFLK-UHFFFAOYSA-N
MW366.53 g/mol
LogP2.94
Rot. Bonds6

About N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-methoxy-2-methylbenzenesulfonamide

N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-methoxy-2-methylbenzenesulfonamide (PubChem CID 16887742) has the molecular formula C19H30N2O3S and a molecular weight of 366.53 g/mol. Its IUPAC name is N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-methoxy-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1-cyclopentylpiperidin-4-yl)methyl]-4-methoxy-2-methylbenzenesulfonamide
PubChem CID16887742
Molecular FormulaC19H30N2O3S
Molecular Weight366.53 g/mol
Exact Mass366.20
IUPAC NameN-[(1-cyclopentylpiperidin-4-yl)methyl]-4-methoxy-2-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2CCN(C3CCCC3)CC2)c(C)c1
InChIInChI=1S/C19H30N2O3S/c1-15-13-18(24-2)7-8-19(15)25(22,23)20-14-16-9-11-21(12-10-16)17-5-3-4-6-17/h7-8,13,16-17,20H,3-6,9-12,14H2,1-2H3
InChIKeyNAYVRRMDPFTFLK-UHFFFAOYSA-N
XLogP2.94
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-methoxy-2-methylbenzenesulfonamide?
The IUPAC name of N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-methoxy-2-methylbenzenesulfonamide (CID 16887742) is N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-methoxy-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-methoxy-2-methylbenzenesulfonamide?
The canonical SMILES for N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-methoxy-2-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)NCC2CCN(C3CCCC3)CC2)c(C)c1.
What is the InChIKey of N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-methoxy-2-methylbenzenesulfonamide?
The InChIKey is NAYVRRMDPFTFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3S/c1-15-13-18(24-2)7-8-19(15)25(22,23)20-14-16-9-11-21(12-10-16)17-5-3-4-6-17/h7-8,13,16-17,20H,3-6,9-12,14H2,1-2H3.
What are the key properties of N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-methoxy-2-methylbenzenesulfonamide?
N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-methoxy-2-methylbenzenesulfonamide has a molecular weight of 366.53 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-methoxy-2-methylbenzenesulfonamide is sourced from PubChem (CID 16887742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).