[3-(4-methylsulfonylpiperazin-1-yl)oxolan-3-yl]methanamine

C10H21N3O3S — CID 63335341

IUPAC[3-(4-methylsulfonylpiperazin-1-yl)oxolan-3-yl]methanamine
SMILESCS(=O)(=O)N1CCN(C2(CN)CCOC2)CC1
InChIInChI=1S/C10H21N3O3S/c1-17(14,15)13-5-3-12(4-6-13)10(8-11)2-7-16-9-10/h2-9,11H2,1H3
InChIKeyYTJYQHVZJOSVCO-UHFFFAOYSA-N
MW263.36 g/mol
LogP-1.32
Rot. Bonds3

About [3-(4-methylsulfonylpiperazin-1-yl)oxolan-3-yl]methanamine

[3-(4-methylsulfonylpiperazin-1-yl)oxolan-3-yl]methanamine (PubChem CID 63335341) has the molecular formula C10H21N3O3S and a molecular weight of 263.36 g/mol. Its IUPAC name is [3-(4-methylsulfonylpiperazin-1-yl)oxolan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(4-methylsulfonylpiperazin-1-yl)oxolan-3-yl]methanamine
PubChem CID63335341
Molecular FormulaC10H21N3O3S
Molecular Weight263.36 g/mol
Exact Mass263.13
IUPAC Name[3-(4-methylsulfonylpiperazin-1-yl)oxolan-3-yl]methanamine
SMILESCS(=O)(=O)N1CCN(C2(CN)CCOC2)CC1
InChIInChI=1S/C10H21N3O3S/c1-17(14,15)13-5-3-12(4-6-13)10(8-11)2-7-16-9-10/h2-9,11H2,1H3
InChIKeyYTJYQHVZJOSVCO-UHFFFAOYSA-N
XLogP-1.32
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 5-1.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-methylsulfonylpiperazin-1-yl)cyclopropyl]methanamine
CID 106661212
[3-(azetidin-1-yl)oxolan-3-yl]methanamine
CID 84763755
[3-(4-methylsulfonylpiperazin-1-yl)thiolan-3-yl]methanamine
CID 62993774
[3-(4-propylpiperazin-1-yl)oxolan-3-yl]methanamine
CID 63335770
[4-(4-methylsulfonylpiperazin-1-yl)-1-propan-2-ylpiperidin-4-yl]methanamine
CID 62993592
(3-thiomorpholin-4-yloxolan-3-yl)methanamine
CID 63335224
[3-(3,3-dimethylazetidin-1-yl)oxolan-3-yl]methanamine
CID 130874622
[4-ethyl-1-(4-methylsulfonylpiperazin-1-yl)cycloheptyl]methanamine
CID 65088134
[3-(3-methylpyrrolidin-1-yl)oxolan-3-yl]methanamine
CID 63335279
[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]oxolan-3-yl]methanamine
CID 104958107
[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methanol
CID 63005068
[4-(4-methyl-1,4-diazepan-1-yl)oxan-4-yl]methanamine
CID 43608698

Frequently Asked Questions

What is the IUPAC name of [3-(4-methylsulfonylpiperazin-1-yl)oxolan-3-yl]methanamine?
The IUPAC name of [3-(4-methylsulfonylpiperazin-1-yl)oxolan-3-yl]methanamine (CID 63335341) is [3-(4-methylsulfonylpiperazin-1-yl)oxolan-3-yl]methanamine.
What is the SMILES notation for [3-(4-methylsulfonylpiperazin-1-yl)oxolan-3-yl]methanamine?
The canonical SMILES for [3-(4-methylsulfonylpiperazin-1-yl)oxolan-3-yl]methanamine is CS(=O)(=O)N1CCN(C2(CN)CCOC2)CC1.
What is the InChIKey of [3-(4-methylsulfonylpiperazin-1-yl)oxolan-3-yl]methanamine?
The InChIKey is YTJYQHVZJOSVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3S/c1-17(14,15)13-5-3-12(4-6-13)10(8-11)2-7-16-9-10/h2-9,11H2,1H3.
What are the key properties of [3-(4-methylsulfonylpiperazin-1-yl)oxolan-3-yl]methanamine?
[3-(4-methylsulfonylpiperazin-1-yl)oxolan-3-yl]methanamine has a molecular weight of 263.36 g/mol, XLogP of -1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methylsulfonylpiperazin-1-yl)oxolan-3-yl]methanamine is sourced from PubChem (CID 63335341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).