N-(1-methoxy-3-methylbutan-2-yl)-2-piperazin-1-ylethanesulfonamide

C12H27N3O3S — CID 65048551

IUPACN-(1-methoxy-3-methylbutan-2-yl)-2-piperazin-1-ylethanesulfonamide
SMILESCOCC(NS(=O)(=O)CCN1CCNCC1)C(C)C
InChIInChI=1S/C12H27N3O3S/c1-11(2)12(10-18-3)14-19(16,17)9-8-15-6-4-13-5-7-15/h11-14H,4-10H2,1-3H3
InChIKeyDWXFSGFRKVBWPJ-UHFFFAOYSA-N
MW293.43 g/mol
LogP-0.52
Rot. Bonds8

About N-(1-methoxy-3-methylbutan-2-yl)-2-piperazin-1-ylethanesulfonamide

N-(1-methoxy-3-methylbutan-2-yl)-2-piperazin-1-ylethanesulfonamide (PubChem CID 65048551) has the molecular formula C12H27N3O3S and a molecular weight of 293.43 g/mol. Its IUPAC name is N-(1-methoxy-3-methylbutan-2-yl)-2-piperazin-1-ylethanesulfonamide.

Molecular Properties

Compound NameN-(1-methoxy-3-methylbutan-2-yl)-2-piperazin-1-ylethanesulfonamide
PubChem CID65048551
Molecular FormulaC12H27N3O3S
Molecular Weight293.43 g/mol
Exact Mass293.18
IUPAC NameN-(1-methoxy-3-methylbutan-2-yl)-2-piperazin-1-ylethanesulfonamide
SMILESCOCC(NS(=O)(=O)CCN1CCNCC1)C(C)C
InChIInChI=1S/C12H27N3O3S/c1-11(2)12(10-18-3)14-19(16,17)9-8-15-6-4-13-5-7-15/h11-14H,4-10H2,1-3H3
InChIKeyDWXFSGFRKVBWPJ-UHFFFAOYSA-N
XLogP-0.52
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-methylsulfonylpropan-2-yl)-2-piperazin-1-ylethanesulfonamide
CID 64643816
N-pentan-2-yl-2-piperazin-1-ylethanesulfonamide
CID 54973633
N-(1-methoxy-3-methylbutan-2-yl)-2-piperazin-1-ylacetamide
CID 65049341
2-piperazin-1-yl-N-(2,3,3-trimethylbutyl)ethanesulfonamide
CID 83144360
3-methoxy-2-methyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119446403
N-octan-4-yl-2-piperazin-1-ylethanesulfonamide
CID 106027308
N-(3-methoxycyclobutyl)-2-piperazin-1-ylethanesulfonamide
CID 114120032
1-hydroxyethyl 2-piperazin-1-ylethanesulfonate
CID 87469546
N-(2-methoxyethyl)-N-methyl-2-piperazin-1-ylethanesulfonamide
CID 54972243
2-piperazin-1-yl-N-(2,2,3,3-tetramethylcyclopropyl)ethanesulfonamide
CID 79351202
2-piperazin-1-ylethanesulfonamide
CID 54595802
1-[2-[bis(2-methoxyethyl)sulfamoylamino]ethyl]piperazine
CID 119966689

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxy-3-methylbutan-2-yl)-2-piperazin-1-ylethanesulfonamide?
The IUPAC name of N-(1-methoxy-3-methylbutan-2-yl)-2-piperazin-1-ylethanesulfonamide (CID 65048551) is N-(1-methoxy-3-methylbutan-2-yl)-2-piperazin-1-ylethanesulfonamide.
What is the SMILES notation for N-(1-methoxy-3-methylbutan-2-yl)-2-piperazin-1-ylethanesulfonamide?
The canonical SMILES for N-(1-methoxy-3-methylbutan-2-yl)-2-piperazin-1-ylethanesulfonamide is COCC(NS(=O)(=O)CCN1CCNCC1)C(C)C.
What is the InChIKey of N-(1-methoxy-3-methylbutan-2-yl)-2-piperazin-1-ylethanesulfonamide?
The InChIKey is DWXFSGFRKVBWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O3S/c1-11(2)12(10-18-3)14-19(16,17)9-8-15-6-4-13-5-7-15/h11-14H,4-10H2,1-3H3.
What are the key properties of N-(1-methoxy-3-methylbutan-2-yl)-2-piperazin-1-ylethanesulfonamide?
N-(1-methoxy-3-methylbutan-2-yl)-2-piperazin-1-ylethanesulfonamide has a molecular weight of 293.43 g/mol, XLogP of -0.52, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxy-3-methylbutan-2-yl)-2-piperazin-1-ylethanesulfonamide is sourced from PubChem (CID 65048551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).