2-methyl-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propan-1-amine

C12H26N4O2S — CID 63340933

IUPAC2-methyl-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propan-1-amine
SMILESCC(C)(CN)N1CCN(S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C12H26N4O2S/c1-12(2,11-13)14-7-9-16(10-8-14)19(17,18)15-5-3-4-6-15/h3-11,13H2,1-2H3
InChIKeyZSEXUCPENONWHR-UHFFFAOYSA-N
MW290.43 g/mol
LogP-0.32
Rot. Bonds4

About 2-methyl-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propan-1-amine

2-methyl-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propan-1-amine (PubChem CID 63340933) has the molecular formula C12H26N4O2S and a molecular weight of 290.43 g/mol. Its IUPAC name is 2-methyl-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propan-1-amine
PubChem CID63340933
Molecular FormulaC12H26N4O2S
Molecular Weight290.43 g/mol
Exact Mass290.18
IUPAC Name2-methyl-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propan-1-amine
SMILESCC(C)(CN)N1CCN(S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C12H26N4O2S/c1-12(2,11-13)14-7-9-16(10-8-14)19(17,18)15-5-3-4-6-15/h3-11,13H2,1-2H3
InChIKeyZSEXUCPENONWHR-UHFFFAOYSA-N
XLogP-0.32
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propan-1-amine?
The IUPAC name of 2-methyl-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propan-1-amine (CID 63340933) is 2-methyl-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propan-1-amine.
What is the SMILES notation for 2-methyl-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propan-1-amine?
The canonical SMILES for 2-methyl-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propan-1-amine is CC(C)(CN)N1CCN(S(=O)(=O)N2CCCC2)CC1.
What is the InChIKey of 2-methyl-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propan-1-amine?
The InChIKey is ZSEXUCPENONWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O2S/c1-12(2,11-13)14-7-9-16(10-8-14)19(17,18)15-5-3-4-6-15/h3-11,13H2,1-2H3.
What are the key properties of 2-methyl-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propan-1-amine?
2-methyl-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propan-1-amine has a molecular weight of 290.43 g/mol, XLogP of -0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propan-1-amine is sourced from PubChem (CID 63340933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).