N-[3-[2-(hydroxymethyl)piperidin-1-yl]propyl]-4-methylpiperazine-1-sulfonamide

C14H30N4O3S — CID 131932700

IUPACN-[3-[2-(hydroxymethyl)piperidin-1-yl]propyl]-4-methylpiperazine-1-sulfonamide
SMILESCN1CCN(S(=O)(=O)NCCCN2CCCCC2CO)CC1
InChIInChI=1S/C14H30N4O3S/c1-16-9-11-18(12-10-16)22(20,21)15-6-4-8-17-7-3-2-5-14(17)13-19/h14-15,19H,2-13H2,1H3
InChIKeyHCXLUZPUGUHRHZ-UHFFFAOYSA-N
MW334.49 g/mol
LogP-0.69
Rot. Bonds7

About N-[3-[2-(hydroxymethyl)piperidin-1-yl]propyl]-4-methylpiperazine-1-sulfonamide

N-[3-[2-(hydroxymethyl)piperidin-1-yl]propyl]-4-methylpiperazine-1-sulfonamide (PubChem CID 131932700) has the molecular formula C14H30N4O3S and a molecular weight of 334.49 g/mol. Its IUPAC name is N-[3-[2-(hydroxymethyl)piperidin-1-yl]propyl]-4-methylpiperazine-1-sulfonamide.

Molecular Properties

Compound NameN-[3-[2-(hydroxymethyl)piperidin-1-yl]propyl]-4-methylpiperazine-1-sulfonamide
PubChem CID131932700
Molecular FormulaC14H30N4O3S
Molecular Weight334.49 g/mol
Exact Mass334.20
IUPAC NameN-[3-[2-(hydroxymethyl)piperidin-1-yl]propyl]-4-methylpiperazine-1-sulfonamide
SMILESCN1CCN(S(=O)(=O)NCCCN2CCCCC2CO)CC1
InChIInChI=1S/C14H30N4O3S/c1-16-9-11-18(12-10-16)22(20,21)15-6-4-8-17-7-3-2-5-14(17)13-19/h14-15,19H,2-13H2,1H3
InChIKeyHCXLUZPUGUHRHZ-UHFFFAOYSA-N
XLogP-0.69
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopentyl-N-[3-[2-(hydroxymethyl)piperidin-1-yl]propyl]methanesulfonamide
CID 131901098
3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-ol;hydrobromide
CID 21144774
[1-(3-chloropropyl)piperidin-2-yl]methanol
CID 61407786
[1-(3-methylsulfanylpropyl)piperidin-2-yl]methanol
CID 115665425
[1-[5-[2-(hydroxymethyl)pyrrolidin-1-yl]pentyl]pyrrolidin-2-yl]methanol
CID 111448331
[1-[2-(propan-2-ylamino)ethyl]azepan-2-yl]methanol
CID 116637148
[1-[2-(tert-butylamino)ethyl]piperidin-2-yl]methanol
CID 61407164
[1-(3-methylsulfanylpropyl)azepan-2-yl]methanol
CID 116637761
[1-[2-(ethylamino)ethyl]azepan-2-yl]methanol
CID 116637146
2-(hydroxymethyl)-N-(4-methoxybutyl)piperidine-1-sulfonamide
CID 114134652
ethane;2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanol
CID 143249605
[1-[4-(propan-2-ylamino)butyl]pyrrolidin-2-yl]methanol
CID 115905715

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(hydroxymethyl)piperidin-1-yl]propyl]-4-methylpiperazine-1-sulfonamide?
The IUPAC name of N-[3-[2-(hydroxymethyl)piperidin-1-yl]propyl]-4-methylpiperazine-1-sulfonamide (CID 131932700) is N-[3-[2-(hydroxymethyl)piperidin-1-yl]propyl]-4-methylpiperazine-1-sulfonamide.
What is the SMILES notation for N-[3-[2-(hydroxymethyl)piperidin-1-yl]propyl]-4-methylpiperazine-1-sulfonamide?
The canonical SMILES for N-[3-[2-(hydroxymethyl)piperidin-1-yl]propyl]-4-methylpiperazine-1-sulfonamide is CN1CCN(S(=O)(=O)NCCCN2CCCCC2CO)CC1.
What is the InChIKey of N-[3-[2-(hydroxymethyl)piperidin-1-yl]propyl]-4-methylpiperazine-1-sulfonamide?
The InChIKey is HCXLUZPUGUHRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O3S/c1-16-9-11-18(12-10-16)22(20,21)15-6-4-8-17-7-3-2-5-14(17)13-19/h14-15,19H,2-13H2,1H3.
What are the key properties of N-[3-[2-(hydroxymethyl)piperidin-1-yl]propyl]-4-methylpiperazine-1-sulfonamide?
N-[3-[2-(hydroxymethyl)piperidin-1-yl]propyl]-4-methylpiperazine-1-sulfonamide has a molecular weight of 334.49 g/mol, XLogP of -0.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(hydroxymethyl)piperidin-1-yl]propyl]-4-methylpiperazine-1-sulfonamide is sourced from PubChem (CID 131932700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).