N-[[1-(dimethylamino)cyclopentyl]methyl]-1-piperidin-4-ylmethanesulfonamide

C14H29N3O2S — CID 83120440

IUPACN-[[1-(dimethylamino)cyclopentyl]methyl]-1-piperidin-4-ylmethanesulfonamide
SMILESCN(C)C1(CNS(=O)(=O)CC2CCNCC2)CCCC1
InChIInChI=1S/C14H29N3O2S/c1-17(2)14(7-3-4-8-14)12-16-20(18,19)11-13-5-9-15-10-6-13/h13,15-16H,3-12H2,1-2H3
InChIKeyVASPBJLJUMFGIT-UHFFFAOYSA-N
MW303.47 g/mol
LogP0.78
Rot. Bonds6

About N-[[1-(dimethylamino)cyclopentyl]methyl]-1-piperidin-4-ylmethanesulfonamide

N-[[1-(dimethylamino)cyclopentyl]methyl]-1-piperidin-4-ylmethanesulfonamide (PubChem CID 83120440) has the molecular formula C14H29N3O2S and a molecular weight of 303.47 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclopentyl]methyl]-1-piperidin-4-ylmethanesulfonamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclopentyl]methyl]-1-piperidin-4-ylmethanesulfonamide
PubChem CID83120440
Molecular FormulaC14H29N3O2S
Molecular Weight303.47 g/mol
Exact Mass303.20
IUPAC NameN-[[1-(dimethylamino)cyclopentyl]methyl]-1-piperidin-4-ylmethanesulfonamide
SMILESCN(C)C1(CNS(=O)(=O)CC2CCNCC2)CCCC1
InChIInChI=1S/C14H29N3O2S/c1-17(2)14(7-3-4-8-14)12-16-20(18,19)11-13-5-9-15-10-6-13/h13,15-16H,3-12H2,1-2H3
InChIKeyVASPBJLJUMFGIT-UHFFFAOYSA-N
XLogP0.78
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclopentyl]methyl]-1-piperidin-4-ylmethanesulfonamide?
The IUPAC name of N-[[1-(dimethylamino)cyclopentyl]methyl]-1-piperidin-4-ylmethanesulfonamide (CID 83120440) is N-[[1-(dimethylamino)cyclopentyl]methyl]-1-piperidin-4-ylmethanesulfonamide.
What is the SMILES notation for N-[[1-(dimethylamino)cyclopentyl]methyl]-1-piperidin-4-ylmethanesulfonamide?
The canonical SMILES for N-[[1-(dimethylamino)cyclopentyl]methyl]-1-piperidin-4-ylmethanesulfonamide is CN(C)C1(CNS(=O)(=O)CC2CCNCC2)CCCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclopentyl]methyl]-1-piperidin-4-ylmethanesulfonamide?
The InChIKey is VASPBJLJUMFGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2S/c1-17(2)14(7-3-4-8-14)12-16-20(18,19)11-13-5-9-15-10-6-13/h13,15-16H,3-12H2,1-2H3.
What are the key properties of N-[[1-(dimethylamino)cyclopentyl]methyl]-1-piperidin-4-ylmethanesulfonamide?
N-[[1-(dimethylamino)cyclopentyl]methyl]-1-piperidin-4-ylmethanesulfonamide has a molecular weight of 303.47 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclopentyl]methyl]-1-piperidin-4-ylmethanesulfonamide is sourced from PubChem (CID 83120440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).