[1-(1,1-dioxothiolan-3-yl)-4-methylpiperazin-2-yl]methanamine

C10H21N3O2S — CID 80504636

IUPAC[1-(1,1-dioxothiolan-3-yl)-4-methylpiperazin-2-yl]methanamine
SMILESCN1CCN(C2CCS(=O)(=O)C2)C(CN)C1
InChIInChI=1S/C10H21N3O2S/c1-12-3-4-13(10(6-11)7-12)9-2-5-16(14,15)8-9/h9-10H,2-8,11H2,1H3
InChIKeyWZIYPLZIYPNFKJ-UHFFFAOYSA-N
MW247.36 g/mol
LogP-1.25
Rot. Bonds2

About [1-(1,1-dioxothiolan-3-yl)-4-methylpiperazin-2-yl]methanamine

[1-(1,1-dioxothiolan-3-yl)-4-methylpiperazin-2-yl]methanamine (PubChem CID 80504636) has the molecular formula C10H21N3O2S and a molecular weight of 247.36 g/mol. Its IUPAC name is [1-(1,1-dioxothiolan-3-yl)-4-methylpiperazin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(1,1-dioxothiolan-3-yl)-4-methylpiperazin-2-yl]methanamine
PubChem CID80504636
Molecular FormulaC10H21N3O2S
Molecular Weight247.36 g/mol
Exact Mass247.14
IUPAC Name[1-(1,1-dioxothiolan-3-yl)-4-methylpiperazin-2-yl]methanamine
SMILESCN1CCN(C2CCS(=O)(=O)C2)C(CN)C1
InChIInChI=1S/C10H21N3O2S/c1-12-3-4-13(10(6-11)7-12)9-2-5-16(14,15)8-9/h9-10H,2-8,11H2,1H3
InChIKeyWZIYPLZIYPNFKJ-UHFFFAOYSA-N
XLogP-1.25
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 5-1.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-(1,1-dioxothiolan-3-yl)-4-methylpiperazin-2-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(1,1-dioxothian-3-yl)piperidin-2-yl]methanamine
CID 63923859
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 80506970
[1-(1,1-dioxothian-4-yl)sulfonyl-4-methylpiperazin-2-yl]methanamine
CID 80506096
[1-(1,1-dioxothiolan-3-yl)piperidin-2-yl]methanol
CID 62021749
3-(3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)thiolane 1,1-dioxide
CID 115824911
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]acetic acid
CID 80505933
(3S)-1-[(3R)-1,1-dioxothiolan-3-yl]piperidin-3-amine
CID 39225830
1-(1,1-dioxothiolan-3-yl)piperidin-3-amine
CID 61297087
[1-(2-ethylcyclohexyl)-4-methylpiperazin-2-yl]methanamine
CID 80505275
[1-(1,1-dioxothiolan-3-yl)-2,2-dimethylpiperidin-3-yl]methanamine
CID 117019706
3-[1-(1,1-dioxothiolan-3-yl)pyrrolidin-2-yl]propanoic acid
CID 117028648
3-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-2-methylpropan-1-amine
CID 54914507

Frequently Asked Questions

What is the IUPAC name of [1-(1,1-dioxothiolan-3-yl)-4-methylpiperazin-2-yl]methanamine?
The IUPAC name of [1-(1,1-dioxothiolan-3-yl)-4-methylpiperazin-2-yl]methanamine (CID 80504636) is [1-(1,1-dioxothiolan-3-yl)-4-methylpiperazin-2-yl]methanamine.
What is the SMILES notation for [1-(1,1-dioxothiolan-3-yl)-4-methylpiperazin-2-yl]methanamine?
The canonical SMILES for [1-(1,1-dioxothiolan-3-yl)-4-methylpiperazin-2-yl]methanamine is CN1CCN(C2CCS(=O)(=O)C2)C(CN)C1.
What is the InChIKey of [1-(1,1-dioxothiolan-3-yl)-4-methylpiperazin-2-yl]methanamine?
The InChIKey is WZIYPLZIYPNFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2S/c1-12-3-4-13(10(6-11)7-12)9-2-5-16(14,15)8-9/h9-10H,2-8,11H2,1H3.
What are the key properties of [1-(1,1-dioxothiolan-3-yl)-4-methylpiperazin-2-yl]methanamine?
[1-(1,1-dioxothiolan-3-yl)-4-methylpiperazin-2-yl]methanamine has a molecular weight of 247.36 g/mol, XLogP of -1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,1-dioxothiolan-3-yl)-4-methylpiperazin-2-yl]methanamine is sourced from PubChem (CID 80504636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).