4-(1-cyanopropyl)-N-(2-methoxyethyl)piperazine-1-sulfonamide

C11H22N4O3S — CID 114815136

IUPAC4-(1-cyanopropyl)-N-(2-methoxyethyl)piperazine-1-sulfonamide
SMILESCCC(C#N)N1CCN(S(=O)(=O)NCCOC)CC1
InChIInChI=1S/C11H22N4O3S/c1-3-11(10-12)14-5-7-15(8-6-14)19(16,17)13-4-9-18-2/h11,13H,3-9H2,1-2H3
InChIKeyNRIDAUZNFIHEPD-UHFFFAOYSA-N
MW290.39 g/mol
LogP-0.61
Rot. Bonds7

About 4-(1-cyanopropyl)-N-(2-methoxyethyl)piperazine-1-sulfonamide

4-(1-cyanopropyl)-N-(2-methoxyethyl)piperazine-1-sulfonamide (PubChem CID 114815136) has the molecular formula C11H22N4O3S and a molecular weight of 290.39 g/mol. Its IUPAC name is 4-(1-cyanopropyl)-N-(2-methoxyethyl)piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(1-cyanopropyl)-N-(2-methoxyethyl)piperazine-1-sulfonamide
PubChem CID114815136
Molecular FormulaC11H22N4O3S
Molecular Weight290.39 g/mol
Exact Mass290.14
IUPAC Name4-(1-cyanopropyl)-N-(2-methoxyethyl)piperazine-1-sulfonamide
SMILESCCC(C#N)N1CCN(S(=O)(=O)NCCOC)CC1
InChIInChI=1S/C11H22N4O3S/c1-3-11(10-12)14-5-7-15(8-6-14)19(16,17)13-4-9-18-2/h11,13H,3-9H2,1-2H3
InChIKeyNRIDAUZNFIHEPD-UHFFFAOYSA-N
XLogP-0.61
TPSA85.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)azetidine-1-sulfonamide
CID 164583733
2-[4-(4-methoxybutyl)piperazin-1-yl]butanenitrile
CID 104647613
4-(ethylamino)-N-(2-methoxyethyl)piperidine-1-sulfonamide
CID 114813693
ethyl 2-[4-(1-cyanopropyl)piperazin-1-yl]sulfonylacetate
CID 63341219
2-(4-methylsulfonylpiperazin-1-yl)pentanenitrile
CID 63341136
3-amino-N-(2-methoxyethyl)-3-propan-2-ylazetidine-1-sulfonamide
CID 114816760
3-amino-N-(2-methoxyethyl)-4-methylpyrrolidine-1-sulfonamide
CID 103576440
methyl 2-[4-(1-cyanobutyl)piperazin-1-yl]sulfonylacetate
CID 63341005
N-(3-methoxypropyl)pyrrolidine-1-sulfonamide
CID 110705733
3-(1-aminoethyl)-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide
CID 114816244
2-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]butanenitrile
CID 63849371
2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pentanenitrile
CID 63341093

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyanopropyl)-N-(2-methoxyethyl)piperazine-1-sulfonamide?
The IUPAC name of 4-(1-cyanopropyl)-N-(2-methoxyethyl)piperazine-1-sulfonamide (CID 114815136) is 4-(1-cyanopropyl)-N-(2-methoxyethyl)piperazine-1-sulfonamide.
What is the SMILES notation for 4-(1-cyanopropyl)-N-(2-methoxyethyl)piperazine-1-sulfonamide?
The canonical SMILES for 4-(1-cyanopropyl)-N-(2-methoxyethyl)piperazine-1-sulfonamide is CCC(C#N)N1CCN(S(=O)(=O)NCCOC)CC1.
What is the InChIKey of 4-(1-cyanopropyl)-N-(2-methoxyethyl)piperazine-1-sulfonamide?
The InChIKey is NRIDAUZNFIHEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O3S/c1-3-11(10-12)14-5-7-15(8-6-14)19(16,17)13-4-9-18-2/h11,13H,3-9H2,1-2H3.
What are the key properties of 4-(1-cyanopropyl)-N-(2-methoxyethyl)piperazine-1-sulfonamide?
4-(1-cyanopropyl)-N-(2-methoxyethyl)piperazine-1-sulfonamide has a molecular weight of 290.39 g/mol, XLogP of -0.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyanopropyl)-N-(2-methoxyethyl)piperazine-1-sulfonamide is sourced from PubChem (CID 114815136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).