4-(1-amino-2-methylpropan-2-yl)-N-methyl-N-propan-2-ylpiperazine-1-sulfonamide

C12H28N4O2S — CID 63341236

IUPAC4-(1-amino-2-methylpropan-2-yl)-N-methyl-N-propan-2-ylpiperazine-1-sulfonamide
SMILESCC(C)N(C)S(=O)(=O)N1CCN(C(C)(C)CN)CC1
InChIInChI=1S/C12H28N4O2S/c1-11(2)14(5)19(17,18)16-8-6-15(7-9-16)12(3,4)10-13/h11H,6-10,13H2,1-5H3
InChIKeyXGNHJYKTTJLFNS-UHFFFAOYSA-N
MW292.45 g/mol
LogP-0.07
Rot. Bonds5

About 4-(1-amino-2-methylpropan-2-yl)-N-methyl-N-propan-2-ylpiperazine-1-sulfonamide

4-(1-amino-2-methylpropan-2-yl)-N-methyl-N-propan-2-ylpiperazine-1-sulfonamide (PubChem CID 63341236) has the molecular formula C12H28N4O2S and a molecular weight of 292.45 g/mol. Its IUPAC name is 4-(1-amino-2-methylpropan-2-yl)-N-methyl-N-propan-2-ylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(1-amino-2-methylpropan-2-yl)-N-methyl-N-propan-2-ylpiperazine-1-sulfonamide
PubChem CID63341236
Molecular FormulaC12H28N4O2S
Molecular Weight292.45 g/mol
Exact Mass292.19
IUPAC Name4-(1-amino-2-methylpropan-2-yl)-N-methyl-N-propan-2-ylpiperazine-1-sulfonamide
SMILESCC(C)N(C)S(=O)(=O)N1CCN(C(C)(C)CN)CC1
InChIInChI=1S/C12H28N4O2S/c1-11(2)14(5)19(17,18)16-8-6-15(7-9-16)12(3,4)10-13/h11H,6-10,13H2,1-5H3
InChIKeyXGNHJYKTTJLFNS-UHFFFAOYSA-N
XLogP-0.07
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-2-methylpropan-2-yl)-N-methyl-N-propan-2-ylpiperazine-1-sulfonamide?
The IUPAC name of 4-(1-amino-2-methylpropan-2-yl)-N-methyl-N-propan-2-ylpiperazine-1-sulfonamide (CID 63341236) is 4-(1-amino-2-methylpropan-2-yl)-N-methyl-N-propan-2-ylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-(1-amino-2-methylpropan-2-yl)-N-methyl-N-propan-2-ylpiperazine-1-sulfonamide?
The canonical SMILES for 4-(1-amino-2-methylpropan-2-yl)-N-methyl-N-propan-2-ylpiperazine-1-sulfonamide is CC(C)N(C)S(=O)(=O)N1CCN(C(C)(C)CN)CC1.
What is the InChIKey of 4-(1-amino-2-methylpropan-2-yl)-N-methyl-N-propan-2-ylpiperazine-1-sulfonamide?
The InChIKey is XGNHJYKTTJLFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N4O2S/c1-11(2)14(5)19(17,18)16-8-6-15(7-9-16)12(3,4)10-13/h11H,6-10,13H2,1-5H3.
What are the key properties of 4-(1-amino-2-methylpropan-2-yl)-N-methyl-N-propan-2-ylpiperazine-1-sulfonamide?
4-(1-amino-2-methylpropan-2-yl)-N-methyl-N-propan-2-ylpiperazine-1-sulfonamide has a molecular weight of 292.45 g/mol, XLogP of -0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-2-methylpropan-2-yl)-N-methyl-N-propan-2-ylpiperazine-1-sulfonamide is sourced from PubChem (CID 63341236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).