3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]sulfonyl-N-propan-2-ylpropan-1-amine

C14H32N4O2S — CID 62889194

IUPAC3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]sulfonyl-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCS(=O)(=O)N1CCN(CCN(C)C)CC1
InChIInChI=1S/C14H32N4O2S/c1-14(2)15-6-5-13-21(19,20)18-11-9-17(10-12-18)8-7-16(3)4/h14-15H,5-13H2,1-4H3
InChIKeyXFIGPZRWESDNQL-UHFFFAOYSA-N
MW320.50 g/mol
LogP-0.12
Rot. Bonds9

About 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]sulfonyl-N-propan-2-ylpropan-1-amine

3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]sulfonyl-N-propan-2-ylpropan-1-amine (PubChem CID 62889194) has the molecular formula C14H32N4O2S and a molecular weight of 320.50 g/mol. Its IUPAC name is 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]sulfonyl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]sulfonyl-N-propan-2-ylpropan-1-amine
PubChem CID62889194
Molecular FormulaC14H32N4O2S
Molecular Weight320.50 g/mol
Exact Mass320.22
IUPAC Name3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]sulfonyl-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCS(=O)(=O)N1CCN(CCN(C)C)CC1
InChIInChI=1S/C14H32N4O2S/c1-14(2)15-6-5-13-21(19,20)18-11-9-17(10-12-18)8-7-16(3)4/h14-15H,5-13H2,1-4H3
InChIKeyXFIGPZRWESDNQL-UHFFFAOYSA-N
XLogP-0.12
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.50
LogP ≤ 5-0.12
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

3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-propan-2-ylpropan-1-amine
CID 55127990
3-(4-ethylpiperazin-1-yl)sulfonyl-N-propan-2-ylpropan-1-amine
CID 54973906
1-methyl-4-[3-(propan-2-ylamino)propylsulfonyl]piperazin-2-one
CID 64693876
N-[2-[4-(2-methylpropyl)piperazin-1-yl]sulfonylethyl]propan-2-amine
CID 55117033
N-[3-(dimethylamino)propyl]-3-(propan-2-ylamino)propane-1-sulfonamide
CID 54974106
3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methyl-N-propan-2-ylpropan-1-amine
CID 62888034
N-propan-2-yl-3-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylpropan-1-amine
CID 102744605
1-pentyl-4-pentylsulfonylpiperazine
CID 86969430
2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-N-propan-2-ylprop-2-en-1-amine
CID 103070382
N-[3-(dimethylamino)propyl]-N-ethyl-3-(propan-2-ylamino)propane-1-sulfonamide
CID 102994809
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-methyl-4-(3-piperidin-1-ylpropylsulfonyl)piperazine
CID 141053770

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]sulfonyl-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]sulfonyl-N-propan-2-ylpropan-1-amine (CID 62889194) is 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]sulfonyl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]sulfonyl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]sulfonyl-N-propan-2-ylpropan-1-amine is CC(C)NCCCS(=O)(=O)N1CCN(CCN(C)C)CC1.
What is the InChIKey of 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]sulfonyl-N-propan-2-ylpropan-1-amine?
The InChIKey is XFIGPZRWESDNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N4O2S/c1-14(2)15-6-5-13-21(19,20)18-11-9-17(10-12-18)8-7-16(3)4/h14-15H,5-13H2,1-4H3.
What are the key properties of 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]sulfonyl-N-propan-2-ylpropan-1-amine?
3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]sulfonyl-N-propan-2-ylpropan-1-amine has a molecular weight of 320.50 g/mol, XLogP of -0.12, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]sulfonyl-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 62889194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).