N-(methylaminomethyl)piperidine-1-sulfonamide

C7H17N3O2S — CID 117126231

IUPACN-(methylaminomethyl)piperidine-1-sulfonamide
SMILESCNCNS(=O)(=O)N1CCCCC1
InChIInChI=1S/C7H17N3O2S/c1-8-7-9-13(11,12)10-5-3-2-4-6-10/h8-9H,2-7H2,1H3
InChIKeyNDLQTWIUWCIPCO-UHFFFAOYSA-N
MW207.30 g/mol
LogP-0.52
Rot. Bonds4

About N-(methylaminomethyl)piperidine-1-sulfonamide

N-(methylaminomethyl)piperidine-1-sulfonamide (PubChem CID 117126231) has the molecular formula C7H17N3O2S and a molecular weight of 207.30 g/mol. Its IUPAC name is N-(methylaminomethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(methylaminomethyl)piperidine-1-sulfonamide
PubChem CID117126231
Molecular FormulaC7H17N3O2S
Molecular Weight207.30 g/mol
Exact Mass207.10
IUPAC NameN-(methylaminomethyl)piperidine-1-sulfonamide
SMILESCNCNS(=O)(=O)N1CCCCC1
InChIInChI=1S/C7H17N3O2S/c1-8-7-9-13(11,12)10-5-3-2-4-6-10/h8-9H,2-7H2,1H3
InChIKeyNDLQTWIUWCIPCO-UHFFFAOYSA-N
XLogP-0.52
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[2-(methylamino)ethyl]pyrrolidine-1-sulfonamide
CID 62657611
N-ethylazepane-1-sulfonamide
CID 43213421
N-methylazocane-1-sulfonamide
CID 130686123
N-methylazepane-1-sulfonamide
CID 28784575
N-[2-methyl-3-(methylamino)propyl]pyrrolidine-1-sulfonamide
CID 115302890
N-[2-(ethylamino)ethyl]azepane-1-sulfonamide
CID 62665481
N-[2-(propylamino)ethyl]azepane-1-sulfonamide
CID 62665322
N-[3-(ethylsulfonylamino)propyl]azepane-1-sulfonamide
CID 49459638
N-(2-aminoethyl)piperidine-1-sulfonamide;hydrochloride
CID 119959959
N-(2-chloropropyl)pyrrolidine-1-sulfonamide
CID 65033458
N-(3-bromobutyl)piperidine-1-sulfonamide
CID 114297689
N-[(E)-pent-3-enyl]azepane-1-sulfonamide
CID 115628649

Frequently Asked Questions

What is the IUPAC name of N-(methylaminomethyl)piperidine-1-sulfonamide?
The IUPAC name of N-(methylaminomethyl)piperidine-1-sulfonamide (CID 117126231) is N-(methylaminomethyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-(methylaminomethyl)piperidine-1-sulfonamide?
The canonical SMILES for N-(methylaminomethyl)piperidine-1-sulfonamide is CNCNS(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(methylaminomethyl)piperidine-1-sulfonamide?
The InChIKey is NDLQTWIUWCIPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O2S/c1-8-7-9-13(11,12)10-5-3-2-4-6-10/h8-9H,2-7H2,1H3.
What are the key properties of N-(methylaminomethyl)piperidine-1-sulfonamide?
N-(methylaminomethyl)piperidine-1-sulfonamide has a molecular weight of 207.30 g/mol, XLogP of -0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylaminomethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 117126231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).