N-[2-[4-(2-methylpropyl)piperazin-1-yl]sulfonylethyl]propan-2-amine

C13H29N3O2S — CID 55117033

IUPACN-[2-[4-(2-methylpropyl)piperazin-1-yl]sulfonylethyl]propan-2-amine
SMILESCC(C)CN1CCN(S(=O)(=O)CCNC(C)C)CC1
InChIInChI=1S/C13H29N3O2S/c1-12(2)11-15-6-8-16(9-7-15)19(17,18)10-5-14-13(3)4/h12-14H,5-11H2,1-4H3
InChIKeyOEYRQWFVPAEVMY-UHFFFAOYSA-N
MW291.46 g/mol
LogP0.59
Rot. Bonds7

About N-[2-[4-(2-methylpropyl)piperazin-1-yl]sulfonylethyl]propan-2-amine

N-[2-[4-(2-methylpropyl)piperazin-1-yl]sulfonylethyl]propan-2-amine (PubChem CID 55117033) has the molecular formula C13H29N3O2S and a molecular weight of 291.46 g/mol. Its IUPAC name is N-[2-[4-(2-methylpropyl)piperazin-1-yl]sulfonylethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[4-(2-methylpropyl)piperazin-1-yl]sulfonylethyl]propan-2-amine
PubChem CID55117033
Molecular FormulaC13H29N3O2S
Molecular Weight291.46 g/mol
Exact Mass291.20
IUPAC NameN-[2-[4-(2-methylpropyl)piperazin-1-yl]sulfonylethyl]propan-2-amine
SMILESCC(C)CN1CCN(S(=O)(=O)CCNC(C)C)CC1
InChIInChI=1S/C13H29N3O2S/c1-12(2)11-15-6-8-16(9-7-15)19(17,18)10-5-14-13(3)4/h12-14H,5-11H2,1-4H3
InChIKeyOEYRQWFVPAEVMY-UHFFFAOYSA-N
XLogP0.59
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-ethylpiperazin-1-yl)sulfonyl-N-propan-2-ylpropan-1-amine
CID 54973906
1-(chloromethylsulfonyl)-4-(2-methylpropyl)piperazine
CID 63664929
N-[2-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)ethyl]propan-2-amine
CID 114411267
3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]sulfonyl-N-propan-2-ylpropan-1-amine
CID 62889194
N-(2-methylsulfonylethyl)propan-2-amine
CID 60708370
2-methyl-3-[4-(2-methylsulfonylethylsulfonyl)-1,4-diazepan-1-yl]propan-1-amine
CID 63244986
N-[2-(2-ethylmorpholin-4-yl)sulfonylethyl]propan-2-amine
CID 54972030
2-methyl-3-(4-propylsulfonylpiperazin-1-yl)propan-1-amine
CID 43252310
1-[3-[4-(2-methylpropyl)piperazin-1-yl]sulfonylpropyl]piperidine-4-carboxamide
CID 69356286
ethane;N-(2-methylsulfonylethyl)propan-2-amine
CID 142531419
1-(2-methylpropyl)-N-(2-methylsulfonylethyl)piperidin-4-amine
CID 103779495
1-methyl-4-[3-(propan-2-ylamino)propylsulfonyl]piperazin-2-one
CID 64693876

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methylpropyl)piperazin-1-yl]sulfonylethyl]propan-2-amine?
The IUPAC name of N-[2-[4-(2-methylpropyl)piperazin-1-yl]sulfonylethyl]propan-2-amine (CID 55117033) is N-[2-[4-(2-methylpropyl)piperazin-1-yl]sulfonylethyl]propan-2-amine.
What is the SMILES notation for N-[2-[4-(2-methylpropyl)piperazin-1-yl]sulfonylethyl]propan-2-amine?
The canonical SMILES for N-[2-[4-(2-methylpropyl)piperazin-1-yl]sulfonylethyl]propan-2-amine is CC(C)CN1CCN(S(=O)(=O)CCNC(C)C)CC1.
What is the InChIKey of N-[2-[4-(2-methylpropyl)piperazin-1-yl]sulfonylethyl]propan-2-amine?
The InChIKey is OEYRQWFVPAEVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O2S/c1-12(2)11-15-6-8-16(9-7-15)19(17,18)10-5-14-13(3)4/h12-14H,5-11H2,1-4H3.
What are the key properties of N-[2-[4-(2-methylpropyl)piperazin-1-yl]sulfonylethyl]propan-2-amine?
N-[2-[4-(2-methylpropyl)piperazin-1-yl]sulfonylethyl]propan-2-amine has a molecular weight of 291.46 g/mol, XLogP of 0.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methylpropyl)piperazin-1-yl]sulfonylethyl]propan-2-amine is sourced from PubChem (CID 55117033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).