N-(2-methylsulfanylethyl)piperazine-1-sulfonamide

C7H17N3O2S2 — CID 63958312

IUPACN-(2-methylsulfanylethyl)piperazine-1-sulfonamide
SMILESCSCCNS(=O)(=O)N1CCNCC1
InChIInChI=1S/C7H17N3O2S2/c1-13-7-4-9-14(11,12)10-5-2-8-3-6-10/h8-9H,2-7H2,1H3
InChIKeyLSMQQKHELPNKFJ-UHFFFAOYSA-N
MW239.37 g/mol
LogP-0.91
Rot. Bonds5

About N-(2-methylsulfanylethyl)piperazine-1-sulfonamide

N-(2-methylsulfanylethyl)piperazine-1-sulfonamide (PubChem CID 63958312) has the molecular formula C7H17N3O2S2 and a molecular weight of 239.37 g/mol. Its IUPAC name is N-(2-methylsulfanylethyl)piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-methylsulfanylethyl)piperazine-1-sulfonamide
PubChem CID63958312
Molecular FormulaC7H17N3O2S2
Molecular Weight239.37 g/mol
Exact Mass239.08
IUPAC NameN-(2-methylsulfanylethyl)piperazine-1-sulfonamide
SMILESCSCCNS(=O)(=O)N1CCNCC1
InChIInChI=1S/C7H17N3O2S2/c1-13-7-4-9-14(11,12)10-5-2-8-3-6-10/h8-9H,2-7H2,1H3
InChIKeyLSMQQKHELPNKFJ-UHFFFAOYSA-N
XLogP-0.91
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.37
LogP ≤ 5-0.91
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-[2-(methylamino)ethyl]piperazine-1-sulfonamide
CID 117126296
N-(3-propoxypropyl)piperazine-1-sulfonamide
CID 82943293
N-prop-2-ynylpiperazine-1-sulfonamide
CID 28775542
N-[2-[ethyl(propyl)amino]ethyl]piperazine-1-sulfonamide
CID 114134192
4-(aminomethyl)-N-(3-methylsulfanylpropyl)piperidine-1-sulfonamide
CID 106066178
N-(2-cyclohexylethyl)piperazine-1-sulfonamide
CID 54932858
N-[2-[2-methoxyethyl(methyl)amino]ethyl]piperazine-1-sulfonamide
CID 55126821
N-methylpiperazine-1-sulfonamide;hydrochloride
CID 86812477
N-[2-(2-methylphenyl)ethyl]piperazine-1-sulfonamide
CID 79755749
4-(methylaminomethyl)-N-(4-methylsulfanylbutyl)piperidine-1-sulfonamide
CID 106078188
3-(aminomethyl)-N-(2-methylsulfanylethyl)piperidine-1-sulfonamide
CID 106063540
4-(methylaminomethyl)-N-(5-methylsulfanylpentyl)piperidine-1-sulfonamide
CID 106093759

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylethyl)piperazine-1-sulfonamide?
The IUPAC name of N-(2-methylsulfanylethyl)piperazine-1-sulfonamide (CID 63958312) is N-(2-methylsulfanylethyl)piperazine-1-sulfonamide.
What is the SMILES notation for N-(2-methylsulfanylethyl)piperazine-1-sulfonamide?
The canonical SMILES for N-(2-methylsulfanylethyl)piperazine-1-sulfonamide is CSCCNS(=O)(=O)N1CCNCC1.
What is the InChIKey of N-(2-methylsulfanylethyl)piperazine-1-sulfonamide?
The InChIKey is LSMQQKHELPNKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O2S2/c1-13-7-4-9-14(11,12)10-5-2-8-3-6-10/h8-9H,2-7H2,1H3.
What are the key properties of N-(2-methylsulfanylethyl)piperazine-1-sulfonamide?
N-(2-methylsulfanylethyl)piperazine-1-sulfonamide has a molecular weight of 239.37 g/mol, XLogP of -0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylethyl)piperazine-1-sulfonamide is sourced from PubChem (CID 63958312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).