N-(oxan-4-ylmethyl)-2-piperazin-1-ylethanesulfonamide

C12H25N3O3S — CID 55225882

IUPACN-(oxan-4-ylmethyl)-2-piperazin-1-ylethanesulfonamide
SMILESO=S(=O)(CCN1CCNCC1)NCC1CCOCC1
InChIInChI=1S/C12H25N3O3S/c16-19(17,10-7-15-5-3-13-4-6-15)14-11-12-1-8-18-9-2-12/h12-14H,1-11H2
InChIKeyVVWVYJHQFAQUII-UHFFFAOYSA-N
MW291.42 g/mol
LogP-0.76
Rot. Bonds6

About N-(oxan-4-ylmethyl)-2-piperazin-1-ylethanesulfonamide

N-(oxan-4-ylmethyl)-2-piperazin-1-ylethanesulfonamide (PubChem CID 55225882) has the molecular formula C12H25N3O3S and a molecular weight of 291.42 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)-2-piperazin-1-ylethanesulfonamide.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)-2-piperazin-1-ylethanesulfonamide
PubChem CID55225882
Molecular FormulaC12H25N3O3S
Molecular Weight291.42 g/mol
Exact Mass291.16
IUPAC NameN-(oxan-4-ylmethyl)-2-piperazin-1-ylethanesulfonamide
SMILESO=S(=O)(CCN1CCNCC1)NCC1CCOCC1
InChIInChI=1S/C12H25N3O3S/c16-19(17,10-7-15-5-3-13-4-6-15)14-11-12-1-8-18-9-2-12/h12-14H,1-11H2
InChIKeyVVWVYJHQFAQUII-UHFFFAOYSA-N
XLogP-0.76
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(methylamino)-N-(oxan-4-ylmethyl)ethanesulfonamide
CID 63708065
1-[4-(oxan-4-yl)butyl]piperazine
CID 116928640
2-(1,4-diazepan-1-yl)-N-(oxan-4-ylmethyl)acetamide
CID 55228378
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-piperazin-1-ylethanesulfonamide
CID 106373825
2-methylsulfonyl-N-(piperidin-4-ylmethyl)ethanesulfonamide
CID 63245223
N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]butane-1-sulfonamide
CID 121109559
2-piperazin-1-yl-N-(2,2,3,3-tetramethylcyclopropyl)ethanesulfonamide
CID 79351202
2-piperazin-1-yl-N-(2,3,3-trimethylbutyl)ethanesulfonamide
CID 83144360
2-piperazin-1-ylethanesulfonamide
CID 54595802
N-(3-methoxycyclobutyl)-2-piperazin-1-ylethanesulfonamide
CID 114120032
N-(1,2-oxazol-3-ylmethyl)-2-piperazin-1-ylethanesulfonamide
CID 81176676
1-(oxan-4-ylmethylsulfamoyl)piperidine-2-carboxylic acid
CID 63711167

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylmethyl)-2-piperazin-1-ylethanesulfonamide?
The IUPAC name of N-(oxan-4-ylmethyl)-2-piperazin-1-ylethanesulfonamide (CID 55225882) is N-(oxan-4-ylmethyl)-2-piperazin-1-ylethanesulfonamide.
What is the SMILES notation for N-(oxan-4-ylmethyl)-2-piperazin-1-ylethanesulfonamide?
The canonical SMILES for N-(oxan-4-ylmethyl)-2-piperazin-1-ylethanesulfonamide is O=S(=O)(CCN1CCNCC1)NCC1CCOCC1.
What is the InChIKey of N-(oxan-4-ylmethyl)-2-piperazin-1-ylethanesulfonamide?
The InChIKey is VVWVYJHQFAQUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3S/c16-19(17,10-7-15-5-3-13-4-6-15)14-11-12-1-8-18-9-2-12/h12-14H,1-11H2.
What are the key properties of N-(oxan-4-ylmethyl)-2-piperazin-1-ylethanesulfonamide?
N-(oxan-4-ylmethyl)-2-piperazin-1-ylethanesulfonamide has a molecular weight of 291.42 g/mol, XLogP of -0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethyl)-2-piperazin-1-ylethanesulfonamide is sourced from PubChem (CID 55225882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).