N-(1-methoxypropan-2-yl)piperazine-1-sulfonamide

C8H19N3O3S — CID 43209644

IUPACN-(1-methoxypropan-2-yl)piperazine-1-sulfonamide
SMILESCOCC(C)NS(=O)(=O)N1CCNCC1
InChIInChI=1S/C8H19N3O3S/c1-8(7-14-2)10-15(12,13)11-5-3-9-4-6-11/h8-10H,3-7H2,1-2H3
InChIKeyHFDAVNLBEVPXND-UHFFFAOYSA-N
MW237.32 g/mol
LogP-1.24
Rot. Bonds5

About N-(1-methoxypropan-2-yl)piperazine-1-sulfonamide

N-(1-methoxypropan-2-yl)piperazine-1-sulfonamide (PubChem CID 43209644) has the molecular formula C8H19N3O3S and a molecular weight of 237.32 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)piperazine-1-sulfonamide
PubChem CID43209644
Molecular FormulaC8H19N3O3S
Molecular Weight237.32 g/mol
Exact Mass237.11
IUPAC NameN-(1-methoxypropan-2-yl)piperazine-1-sulfonamide
SMILESCOCC(C)NS(=O)(=O)N1CCNCC1
InChIInChI=1S/C8H19N3O3S/c1-8(7-14-2)10-15(12,13)11-5-3-9-4-6-11/h8-10H,3-7H2,1-2H3
InChIKeyHFDAVNLBEVPXND-UHFFFAOYSA-N
XLogP-1.24
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 5-1.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)piperazine-1-sulfonamide?
The IUPAC name of N-(1-methoxypropan-2-yl)piperazine-1-sulfonamide (CID 43209644) is N-(1-methoxypropan-2-yl)piperazine-1-sulfonamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)piperazine-1-sulfonamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)piperazine-1-sulfonamide is COCC(C)NS(=O)(=O)N1CCNCC1.
What is the InChIKey of N-(1-methoxypropan-2-yl)piperazine-1-sulfonamide?
The InChIKey is HFDAVNLBEVPXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O3S/c1-8(7-14-2)10-15(12,13)11-5-3-9-4-6-11/h8-10H,3-7H2,1-2H3.
What are the key properties of N-(1-methoxypropan-2-yl)piperazine-1-sulfonamide?
N-(1-methoxypropan-2-yl)piperazine-1-sulfonamide has a molecular weight of 237.32 g/mol, XLogP of -1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)piperazine-1-sulfonamide is sourced from PubChem (CID 43209644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).