methyl N-[4-(1-aminopentan-2-yl)piperazin-1-yl]sulfonylcarbamate

C11H24N4O4S — CID 114461406

IUPACmethyl N-[4-(1-aminopentan-2-yl)piperazin-1-yl]sulfonylcarbamate
SMILESCCCC(CN)N1CCN(S(=O)(=O)NC(=O)OC)CC1
InChIInChI=1S/C11H24N4O4S/c1-3-4-10(9-12)14-5-7-15(8-6-14)20(17,18)13-11(16)19-2/h10H,3-9,12H2,1-2H3,(H,13,16)
InChIKeySKRQQDSGFNSRIE-UHFFFAOYSA-N
MW308.40 g/mol
LogP-0.67
Rot. Bonds6

About methyl N-[4-(1-aminopentan-2-yl)piperazin-1-yl]sulfonylcarbamate

methyl N-[4-(1-aminopentan-2-yl)piperazin-1-yl]sulfonylcarbamate (PubChem CID 114461406) has the molecular formula C11H24N4O4S and a molecular weight of 308.40 g/mol. Its IUPAC name is methyl N-[4-(1-aminopentan-2-yl)piperazin-1-yl]sulfonylcarbamate.

Molecular Properties

Compound Namemethyl N-[4-(1-aminopentan-2-yl)piperazin-1-yl]sulfonylcarbamate
PubChem CID114461406
Molecular FormulaC11H24N4O4S
Molecular Weight308.40 g/mol
Exact Mass308.15
IUPAC Namemethyl N-[4-(1-aminopentan-2-yl)piperazin-1-yl]sulfonylcarbamate
SMILESCCCC(CN)N1CCN(S(=O)(=O)NC(=O)OC)CC1
InChIInChI=1S/C11H24N4O4S/c1-3-4-10(9-12)14-5-7-15(8-6-14)20(17,18)13-11(16)19-2/h10H,3-9,12H2,1-2H3,(H,13,16)
InChIKeySKRQQDSGFNSRIE-UHFFFAOYSA-N
XLogP-0.67
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl N-[4-(1-aminopentan-2-yl)piperazin-1-yl]sulfonylcarbamate?
The IUPAC name of methyl N-[4-(1-aminopentan-2-yl)piperazin-1-yl]sulfonylcarbamate (CID 114461406) is methyl N-[4-(1-aminopentan-2-yl)piperazin-1-yl]sulfonylcarbamate.
What is the SMILES notation for methyl N-[4-(1-aminopentan-2-yl)piperazin-1-yl]sulfonylcarbamate?
The canonical SMILES for methyl N-[4-(1-aminopentan-2-yl)piperazin-1-yl]sulfonylcarbamate is CCCC(CN)N1CCN(S(=O)(=O)NC(=O)OC)CC1.
What is the InChIKey of methyl N-[4-(1-aminopentan-2-yl)piperazin-1-yl]sulfonylcarbamate?
The InChIKey is SKRQQDSGFNSRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O4S/c1-3-4-10(9-12)14-5-7-15(8-6-14)20(17,18)13-11(16)19-2/h10H,3-9,12H2,1-2H3,(H,13,16).
What are the key properties of methyl N-[4-(1-aminopentan-2-yl)piperazin-1-yl]sulfonylcarbamate?
methyl N-[4-(1-aminopentan-2-yl)piperazin-1-yl]sulfonylcarbamate has a molecular weight of 308.40 g/mol, XLogP of -0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-(1-aminopentan-2-yl)piperazin-1-yl]sulfonylcarbamate is sourced from PubChem (CID 114461406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).