1-cyclopentyl-N-[3-[2-(hydroxymethyl)piperidin-1-yl]propyl]methanesulfonamide

C15H30N2O3S — CID 131901098

IUPAC1-cyclopentyl-N-[3-[2-(hydroxymethyl)piperidin-1-yl]propyl]methanesulfonamide
SMILESO=S(=O)(CC1CCCC1)NCCCN1CCCCC1CO
InChIInChI=1S/C15H30N2O3S/c18-12-15-8-3-4-10-17(15)11-5-9-16-21(19,20)13-14-6-1-2-7-14/h14-16,18H,1-13H2
InChIKeyMLDZENFAWXUNLD-UHFFFAOYSA-N
MW318.48 g/mol
LogP1.33
Rot. Bonds8

About 1-cyclopentyl-N-[3-[2-(hydroxymethyl)piperidin-1-yl]propyl]methanesulfonamide

1-cyclopentyl-N-[3-[2-(hydroxymethyl)piperidin-1-yl]propyl]methanesulfonamide (PubChem CID 131901098) has the molecular formula C15H30N2O3S and a molecular weight of 318.48 g/mol. Its IUPAC name is 1-cyclopentyl-N-[3-[2-(hydroxymethyl)piperidin-1-yl]propyl]methanesulfonamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[3-[2-(hydroxymethyl)piperidin-1-yl]propyl]methanesulfonamide
PubChem CID131901098
Molecular FormulaC15H30N2O3S
Molecular Weight318.48 g/mol
Exact Mass318.20
IUPAC Name1-cyclopentyl-N-[3-[2-(hydroxymethyl)piperidin-1-yl]propyl]methanesulfonamide
SMILESO=S(=O)(CC1CCCC1)NCCCN1CCCCC1CO
InChIInChI=1S/C15H30N2O3S/c18-12-15-8-3-4-10-17(15)11-5-9-16-21(19,20)13-14-6-1-2-7-14/h14-16,18H,1-13H2
InChIKeyMLDZENFAWXUNLD-UHFFFAOYSA-N
XLogP1.33
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.48
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[2-(hydroxymethyl)piperidin-1-yl]propyl]-4-methylpiperazine-1-sulfonamide
CID 131932700
3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-ol;hydrobromide
CID 21144774
1-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)methanesulfonamide
CID 62989954
[1-(3-chloropropyl)piperidin-2-yl]methanol
CID 61407786
[1-(2-cyclohexylethyl)azepan-2-yl]methanol
CID 114192428
[1-[5-[2-(hydroxymethyl)pyrrolidin-1-yl]pentyl]pyrrolidin-2-yl]methanol
CID 111448331
N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]propanamide
CID 125053056
N-(3-cyclopentylpropyl)-2-(hydroxymethyl)piperidine-1-sulfonamide
CID 106014558
1-[2-(2-ethylpiperidin-1-yl)ethyl]-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine
CID 111567843
[1-(5-sulfanylpentyl)azepan-2-yl]methanol
CID 116640612
[1-(3-methylsulfanylpropyl)piperidin-2-yl]methanol
CID 115665425
[1-[4-(cycloheptylamino)butyl]pyrrolidin-2-yl]methanol
CID 111114732

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[3-[2-(hydroxymethyl)piperidin-1-yl]propyl]methanesulfonamide?
The IUPAC name of 1-cyclopentyl-N-[3-[2-(hydroxymethyl)piperidin-1-yl]propyl]methanesulfonamide (CID 131901098) is 1-cyclopentyl-N-[3-[2-(hydroxymethyl)piperidin-1-yl]propyl]methanesulfonamide.
What is the SMILES notation for 1-cyclopentyl-N-[3-[2-(hydroxymethyl)piperidin-1-yl]propyl]methanesulfonamide?
The canonical SMILES for 1-cyclopentyl-N-[3-[2-(hydroxymethyl)piperidin-1-yl]propyl]methanesulfonamide is O=S(=O)(CC1CCCC1)NCCCN1CCCCC1CO.
What is the InChIKey of 1-cyclopentyl-N-[3-[2-(hydroxymethyl)piperidin-1-yl]propyl]methanesulfonamide?
The InChIKey is MLDZENFAWXUNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3S/c18-12-15-8-3-4-10-17(15)11-5-9-16-21(19,20)13-14-6-1-2-7-14/h14-16,18H,1-13H2.
What are the key properties of 1-cyclopentyl-N-[3-[2-(hydroxymethyl)piperidin-1-yl]propyl]methanesulfonamide?
1-cyclopentyl-N-[3-[2-(hydroxymethyl)piperidin-1-yl]propyl]methanesulfonamide has a molecular weight of 318.48 g/mol, XLogP of 1.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[3-[2-(hydroxymethyl)piperidin-1-yl]propyl]methanesulfonamide is sourced from PubChem (CID 131901098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).