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

C10H21N3O2S2 — CID 62993774

IUPAC[3-(4-methylsulfonylpiperazin-1-yl)thiolan-3-yl]methanamine
SMILESCS(=O)(=O)N1CCN(C2(CN)CCSC2)CC1
InChIInChI=1S/C10H21N3O2S2/c1-17(14,15)13-5-3-12(4-6-13)10(8-11)2-7-16-9-10/h2-9,11H2,1H3
InChIKeyYAEMEQFAKWHAHW-UHFFFAOYSA-N
MW279.43 g/mol
LogP-0.60
Rot. Bonds3

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

[3-(4-methylsulfonylpiperazin-1-yl)thiolan-3-yl]methanamine (PubChem CID 62993774) has the molecular formula C10H21N3O2S2 and a molecular weight of 279.43 g/mol. Its IUPAC name is [3-(4-methylsulfonylpiperazin-1-yl)thiolan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(4-methylsulfonylpiperazin-1-yl)thiolan-3-yl]methanamine
PubChem CID62993774
Molecular FormulaC10H21N3O2S2
Molecular Weight279.43 g/mol
Exact Mass279.11
IUPAC Name[3-(4-methylsulfonylpiperazin-1-yl)thiolan-3-yl]methanamine
SMILESCS(=O)(=O)N1CCN(C2(CN)CCSC2)CC1
InChIInChI=1S/C10H21N3O2S2/c1-17(14,15)13-5-3-12(4-6-13)10(8-11)2-7-16-9-10/h2-9,11H2,1H3
InChIKeyYAEMEQFAKWHAHW-UHFFFAOYSA-N
XLogP-0.60
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-methylsulfonylpiperazin-1-yl)cyclopropyl]methanamine
CID 106661212
[3-(4-ethylpiperazin-1-yl)thiolan-3-yl]methanamine
CID 24697068
[3-(azepan-1-yl)thiolan-3-yl]methanamine
CID 24710395
[3-(4,4-diethylpiperidin-1-yl)thiolan-3-yl]methanamine
CID 55165075
[3-(4-methylsulfonylpiperazin-1-yl)oxolan-3-yl]methanamine
CID 63335341
[4-(4-methylsulfonylpiperazin-1-yl)-1-propan-2-ylpiperidin-4-yl]methanamine
CID 62993592
(3-morpholin-4-ylthiolan-3-yl)methanamine;hydrochloride
CID 42948044
[4-ethyl-1-(4-methylsulfonylpiperazin-1-yl)cycloheptyl]methanamine
CID 65088134
[3-(3-ethyl-3-methylazetidin-1-yl)thiolan-3-yl]methanamine
CID 131140872
[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]thiolan-3-yl]methanamine
CID 43132916
[4-(4,4-dimethylpiperidin-1-yl)thian-4-yl]methanamine
CID 62938084
[3-(3-methoxypyrrolidin-1-yl)thiolan-3-yl]methanamine
CID 103531486

Frequently Asked Questions

What is the IUPAC name of [3-(4-methylsulfonylpiperazin-1-yl)thiolan-3-yl]methanamine?
The IUPAC name of [3-(4-methylsulfonylpiperazin-1-yl)thiolan-3-yl]methanamine (CID 62993774) is [3-(4-methylsulfonylpiperazin-1-yl)thiolan-3-yl]methanamine.
What is the SMILES notation for [3-(4-methylsulfonylpiperazin-1-yl)thiolan-3-yl]methanamine?
The canonical SMILES for [3-(4-methylsulfonylpiperazin-1-yl)thiolan-3-yl]methanamine is CS(=O)(=O)N1CCN(C2(CN)CCSC2)CC1.
What is the InChIKey of [3-(4-methylsulfonylpiperazin-1-yl)thiolan-3-yl]methanamine?
The InChIKey is YAEMEQFAKWHAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2S2/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)thiolan-3-yl]methanamine?
[3-(4-methylsulfonylpiperazin-1-yl)thiolan-3-yl]methanamine has a molecular weight of 279.43 g/mol, XLogP of -0.60, 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)thiolan-3-yl]methanamine is sourced from PubChem (CID 62993774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).