3-(4-ethylpiperazin-1-yl)sulfonyl-N-propan-2-ylpropan-1-amine

C12H27N3O2S — CID 54973906

IUPAC3-(4-ethylpiperazin-1-yl)sulfonyl-N-propan-2-ylpropan-1-amine
SMILESCCN1CCN(S(=O)(=O)CCCNC(C)C)CC1
InChIInChI=1S/C12H27N3O2S/c1-4-14-7-9-15(10-8-14)18(16,17)11-5-6-13-12(2)3/h12-13H,4-11H2,1-3H3
InChIKeyHWHSEPGUZHCOPP-UHFFFAOYSA-N
MW277.43 g/mol
LogP0.34
Rot. Bonds7

About 3-(4-ethylpiperazin-1-yl)sulfonyl-N-propan-2-ylpropan-1-amine

3-(4-ethylpiperazin-1-yl)sulfonyl-N-propan-2-ylpropan-1-amine (PubChem CID 54973906) has the molecular formula C12H27N3O2S and a molecular weight of 277.43 g/mol. Its IUPAC name is 3-(4-ethylpiperazin-1-yl)sulfonyl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(4-ethylpiperazin-1-yl)sulfonyl-N-propan-2-ylpropan-1-amine
PubChem CID54973906
Molecular FormulaC12H27N3O2S
Molecular Weight277.43 g/mol
Exact Mass277.18
IUPAC Name3-(4-ethylpiperazin-1-yl)sulfonyl-N-propan-2-ylpropan-1-amine
SMILESCCN1CCN(S(=O)(=O)CCCNC(C)C)CC1
InChIInChI=1S/C12H27N3O2S/c1-4-14-7-9-15(10-8-14)18(16,17)11-5-6-13-12(2)3/h12-13H,4-11H2,1-3H3
InChIKeyHWHSEPGUZHCOPP-UHFFFAOYSA-N
XLogP0.34
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 50.34
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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Related Compounds

3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]sulfonyl-N-propan-2-ylpropan-1-amine
CID 62889194
N-[2-[4-(2-methylpropyl)piperazin-1-yl]sulfonylethyl]propan-2-amine
CID 55117033
1-methyl-4-[3-(propan-2-ylamino)propylsulfonyl]piperazin-2-one
CID 64693876
N-propan-2-yl-3-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylpropan-1-amine
CID 102744605
1-(2,2-dimethylpropylsulfonyl)-4-ethylpiperazine
CID 126759837
3-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonyl-N-propan-2-ylpropan-1-amine
CID 63539561
1-ethyl-4-(2,2,2-trifluoroethylsulfonyl)piperazine
CID 71158445
N-[3-(4-ethylpiperazin-1-yl)propyl]butan-2-amine
CID 115709438
4-ethyl-N-propan-2-yl-1,4-diazepane-1-sulfonamide
CID 75483805
1-pentyl-4-pentylsulfonylpiperazine
CID 86969430
4-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]-N-propan-2-ylbutan-1-amine
CID 102729039
1-butylsulfonyl-4-propylsulfonyl-1,4-diazepane
CID 110799667

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperazin-1-yl)sulfonyl-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(4-ethylpiperazin-1-yl)sulfonyl-N-propan-2-ylpropan-1-amine (CID 54973906) is 3-(4-ethylpiperazin-1-yl)sulfonyl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(4-ethylpiperazin-1-yl)sulfonyl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(4-ethylpiperazin-1-yl)sulfonyl-N-propan-2-ylpropan-1-amine is CCN1CCN(S(=O)(=O)CCCNC(C)C)CC1.
What is the InChIKey of 3-(4-ethylpiperazin-1-yl)sulfonyl-N-propan-2-ylpropan-1-amine?
The InChIKey is HWHSEPGUZHCOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2S/c1-4-14-7-9-15(10-8-14)18(16,17)11-5-6-13-12(2)3/h12-13H,4-11H2,1-3H3.
What are the key properties of 3-(4-ethylpiperazin-1-yl)sulfonyl-N-propan-2-ylpropan-1-amine?
3-(4-ethylpiperazin-1-yl)sulfonyl-N-propan-2-ylpropan-1-amine has a molecular weight of 277.43 g/mol, XLogP of 0.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpiperazin-1-yl)sulfonyl-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 54973906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).