N-(3-methoxypropyl)-N-methylpiperazine-1-sulfonamide

C9H21N3O3S — CID 63009101

IUPACN-(3-methoxypropyl)-N-methylpiperazine-1-sulfonamide
SMILESCOCCCN(C)S(=O)(=O)N1CCNCC1
InChIInChI=1S/C9H21N3O3S/c1-11(6-3-9-15-2)16(13,14)12-7-4-10-5-8-12/h10H,3-9H2,1-2H3
InChIKeyJVFUKOMXBNVSRQ-UHFFFAOYSA-N
MW251.35 g/mol
LogP-0.90
Rot. Bonds6

About N-(3-methoxypropyl)-N-methylpiperazine-1-sulfonamide

N-(3-methoxypropyl)-N-methylpiperazine-1-sulfonamide (PubChem CID 63009101) has the molecular formula C9H21N3O3S and a molecular weight of 251.35 g/mol. Its IUPAC name is N-(3-methoxypropyl)-N-methylpiperazine-1-sulfonamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-N-methylpiperazine-1-sulfonamide
PubChem CID63009101
Molecular FormulaC9H21N3O3S
Molecular Weight251.35 g/mol
Exact Mass251.13
IUPAC NameN-(3-methoxypropyl)-N-methylpiperazine-1-sulfonamide
SMILESCOCCCN(C)S(=O)(=O)N1CCNCC1
InChIInChI=1S/C9H21N3O3S/c1-11(6-3-9-15-2)16(13,14)12-7-4-10-5-8-12/h10H,3-9H2,1-2H3
InChIKeyJVFUKOMXBNVSRQ-UHFFFAOYSA-N
XLogP-0.90
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 5-0.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-N-methylpiperazine-1-sulfonamide?
The IUPAC name of N-(3-methoxypropyl)-N-methylpiperazine-1-sulfonamide (CID 63009101) is N-(3-methoxypropyl)-N-methylpiperazine-1-sulfonamide.
What is the SMILES notation for N-(3-methoxypropyl)-N-methylpiperazine-1-sulfonamide?
The canonical SMILES for N-(3-methoxypropyl)-N-methylpiperazine-1-sulfonamide is COCCCN(C)S(=O)(=O)N1CCNCC1.
What is the InChIKey of N-(3-methoxypropyl)-N-methylpiperazine-1-sulfonamide?
The InChIKey is JVFUKOMXBNVSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O3S/c1-11(6-3-9-15-2)16(13,14)12-7-4-10-5-8-12/h10H,3-9H2,1-2H3.
What are the key properties of N-(3-methoxypropyl)-N-methylpiperazine-1-sulfonamide?
N-(3-methoxypropyl)-N-methylpiperazine-1-sulfonamide has a molecular weight of 251.35 g/mol, XLogP of -0.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-N-methylpiperazine-1-sulfonamide is sourced from PubChem (CID 63009101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).