2-(5-methyl-1,2,5-thiadiazolidin-2-yl)ethanamine

C5H13N3S — CID 142741769

IUPAC2-(5-methyl-1,2,5-thiadiazolidin-2-yl)ethanamine
SMILESCN1CCN(CCN)S1
InChIInChI=1S/C5H13N3S/c1-7-4-5-8(9-7)3-2-6/h2-6H2,1H3
InChIKeyNAEUPWCOHUTUBZ-UHFFFAOYSA-N
MW147.25 g/mol
LogP-0.24
Rot. Bonds2

About 2-(5-methyl-1,2,5-thiadiazolidin-2-yl)ethanamine

2-(5-methyl-1,2,5-thiadiazolidin-2-yl)ethanamine (PubChem CID 142741769) has the molecular formula C5H13N3S and a molecular weight of 147.25 g/mol. Its IUPAC name is 2-(5-methyl-1,2,5-thiadiazolidin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(5-methyl-1,2,5-thiadiazolidin-2-yl)ethanamine
PubChem CID142741769
Molecular FormulaC5H13N3S
Molecular Weight147.25 g/mol
Exact Mass147.08
IUPAC Name2-(5-methyl-1,2,5-thiadiazolidin-2-yl)ethanamine
SMILESCN1CCN(CCN)S1
InChIInChI=1S/C5H13N3S/c1-7-4-5-8(9-7)3-2-6/h2-6H2,1H3
InChIKeyNAEUPWCOHUTUBZ-UHFFFAOYSA-N
XLogP-0.24
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.25
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethane;molecular hydrogen;2-pyrrolidin-1-ylethanamine
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methane;2-piperidin-1-ylethanamine
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CID 115102298
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1-[4-(2-aminoethyl)piperazin-1-yl]-2-methylpropan-2-amine
CID 45117280
2-[4-[(1-methylpyrrol-3-yl)methyl]-1,4-diazepan-1-yl]ethanamine
CID 82476514
2-[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanamine
CID 62127922
6-(azetidin-1-yl)hexan-1-amine
CID 18952651
4-(4-pentyl-1,4-diazepan-1-yl)butan-1-amine
CID 43252830
2-(2-methylazetidin-1-yl)ethanamine
CID 79677018
ethane;3-piperidin-1-ylpropan-1-amine
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2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]acetamide
CID 43252657

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,2,5-thiadiazolidin-2-yl)ethanamine?
The IUPAC name of 2-(5-methyl-1,2,5-thiadiazolidin-2-yl)ethanamine (CID 142741769) is 2-(5-methyl-1,2,5-thiadiazolidin-2-yl)ethanamine.
What is the SMILES notation for 2-(5-methyl-1,2,5-thiadiazolidin-2-yl)ethanamine?
The canonical SMILES for 2-(5-methyl-1,2,5-thiadiazolidin-2-yl)ethanamine is CN1CCN(CCN)S1.
What is the InChIKey of 2-(5-methyl-1,2,5-thiadiazolidin-2-yl)ethanamine?
The InChIKey is NAEUPWCOHUTUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3S/c1-7-4-5-8(9-7)3-2-6/h2-6H2,1H3.
What are the key properties of 2-(5-methyl-1,2,5-thiadiazolidin-2-yl)ethanamine?
2-(5-methyl-1,2,5-thiadiazolidin-2-yl)ethanamine has a molecular weight of 147.25 g/mol, XLogP of -0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,2,5-thiadiazolidin-2-yl)ethanamine is sourced from PubChem (CID 142741769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).