N-[1-(2-methoxyacetyl)piperidin-4-yl]piperazine-1-sulfonamide

C12H24N4O4S — CID 61254500

IUPACN-[1-(2-methoxyacetyl)piperidin-4-yl]piperazine-1-sulfonamide
SMILESCOCC(=O)N1CCC(NS(=O)(=O)N2CCNCC2)CC1
InChIInChI=1S/C12H24N4O4S/c1-20-10-12(17)15-6-2-11(3-7-15)14-21(18,19)16-8-4-13-5-9-16/h11,13-14H,2-10H2,1H3
InChIKeyKCIKTXUXACWXKC-UHFFFAOYSA-N
MW320.42 g/mol
LogP-1.64
Rot. Bonds5

About N-[1-(2-methoxyacetyl)piperidin-4-yl]piperazine-1-sulfonamide

N-[1-(2-methoxyacetyl)piperidin-4-yl]piperazine-1-sulfonamide (PubChem CID 61254500) has the molecular formula C12H24N4O4S and a molecular weight of 320.42 g/mol. Its IUPAC name is N-[1-(2-methoxyacetyl)piperidin-4-yl]piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(2-methoxyacetyl)piperidin-4-yl]piperazine-1-sulfonamide
PubChem CID61254500
Molecular FormulaC12H24N4O4S
Molecular Weight320.42 g/mol
Exact Mass320.15
IUPAC NameN-[1-(2-methoxyacetyl)piperidin-4-yl]piperazine-1-sulfonamide
SMILESCOCC(=O)N1CCC(NS(=O)(=O)N2CCNCC2)CC1
InChIInChI=1S/C12H24N4O4S/c1-20-10-12(17)15-6-2-11(3-7-15)14-21(18,19)16-8-4-13-5-9-16/h11,13-14H,2-10H2,1H3
InChIKeyKCIKTXUXACWXKC-UHFFFAOYSA-N
XLogP-1.64
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 5-1.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyacetyl)piperidin-4-yl]piperazine-1-sulfonamide?
The IUPAC name of N-[1-(2-methoxyacetyl)piperidin-4-yl]piperazine-1-sulfonamide (CID 61254500) is N-[1-(2-methoxyacetyl)piperidin-4-yl]piperazine-1-sulfonamide.
What is the SMILES notation for N-[1-(2-methoxyacetyl)piperidin-4-yl]piperazine-1-sulfonamide?
The canonical SMILES for N-[1-(2-methoxyacetyl)piperidin-4-yl]piperazine-1-sulfonamide is COCC(=O)N1CCC(NS(=O)(=O)N2CCNCC2)CC1.
What is the InChIKey of N-[1-(2-methoxyacetyl)piperidin-4-yl]piperazine-1-sulfonamide?
The InChIKey is KCIKTXUXACWXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O4S/c1-20-10-12(17)15-6-2-11(3-7-15)14-21(18,19)16-8-4-13-5-9-16/h11,13-14H,2-10H2,1H3.
What are the key properties of N-[1-(2-methoxyacetyl)piperidin-4-yl]piperazine-1-sulfonamide?
N-[1-(2-methoxyacetyl)piperidin-4-yl]piperazine-1-sulfonamide has a molecular weight of 320.42 g/mol, XLogP of -1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyacetyl)piperidin-4-yl]piperazine-1-sulfonamide is sourced from PubChem (CID 61254500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).