1-(1,1-dioxothiolan-3-yl)-2-(2-methyltetrazol-5-yl)ethanamine

C8H15N5O2S — CID 107050587

IUPAC1-(1,1-dioxothiolan-3-yl)-2-(2-methyltetrazol-5-yl)ethanamine
SMILESCn1nnc(CC(N)C2CCS(=O)(=O)C2)n1
InChIInChI=1S/C8H15N5O2S/c1-13-11-8(10-12-13)4-7(9)6-2-3-16(14,15)5-6/h6-7H,2-5,9H2,1H3
InChIKeyJYLPGDNUZNUUGR-UHFFFAOYSA-N
MW245.31 g/mol
LogP-1.49
Rot. Bonds3

About 1-(1,1-dioxothiolan-3-yl)-2-(2-methyltetrazol-5-yl)ethanamine

1-(1,1-dioxothiolan-3-yl)-2-(2-methyltetrazol-5-yl)ethanamine (PubChem CID 107050587) has the molecular formula C8H15N5O2S and a molecular weight of 245.31 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-2-(2-methyltetrazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-2-(2-methyltetrazol-5-yl)ethanamine
PubChem CID107050587
Molecular FormulaC8H15N5O2S
Molecular Weight245.31 g/mol
Exact Mass245.09
IUPAC Name1-(1,1-dioxothiolan-3-yl)-2-(2-methyltetrazol-5-yl)ethanamine
SMILESCn1nnc(CC(N)C2CCS(=O)(=O)C2)n1
InChIInChI=1S/C8H15N5O2S/c1-13-11-8(10-12-13)4-7(9)6-2-3-16(14,15)5-6/h6-7H,2-5,9H2,1H3
InChIKeyJYLPGDNUZNUUGR-UHFFFAOYSA-N
XLogP-1.49
TPSA103.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 5-1.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-cyclobutyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107049334
2-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107052846
1-cyclohexyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107048433
2-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107053129
1-cyclopropyl-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107050394
2-(2-methyltetrazol-5-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
CID 107049596
2-(2-methyltetrazol-5-yl)-1-(oxolan-2-yl)ethanamine
CID 107049445
3-[1-chloro-2-(chloromethyl)-3-(2-methyltetrazol-5-yl)propan-2-yl]thiolane 1,1-dioxide
CID 107058447
1-cyclopentyl-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107044748
2-(1-cyclohexylpyrazol-3-yl)-1-(1,1-dioxothiolan-3-yl)ethanamine
CID 65020189
2-(3,4-dichlorophenyl)-1-(1,1-dioxothiolan-3-yl)ethanamine
CID 64905184
2-(4-chlorophenyl)-1-(1,1-dioxothiolan-3-yl)ethanamine
CID 64906416

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-2-(2-methyltetrazol-5-yl)ethanamine?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-2-(2-methyltetrazol-5-yl)ethanamine (CID 107050587) is 1-(1,1-dioxothiolan-3-yl)-2-(2-methyltetrazol-5-yl)ethanamine.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-2-(2-methyltetrazol-5-yl)ethanamine?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-2-(2-methyltetrazol-5-yl)ethanamine is Cn1nnc(CC(N)C2CCS(=O)(=O)C2)n1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-2-(2-methyltetrazol-5-yl)ethanamine?
The InChIKey is JYLPGDNUZNUUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O2S/c1-13-11-8(10-12-13)4-7(9)6-2-3-16(14,15)5-6/h6-7H,2-5,9H2,1H3.
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-2-(2-methyltetrazol-5-yl)ethanamine?
1-(1,1-dioxothiolan-3-yl)-2-(2-methyltetrazol-5-yl)ethanamine has a molecular weight of 245.31 g/mol, XLogP of -1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-2-(2-methyltetrazol-5-yl)ethanamine is sourced from PubChem (CID 107050587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).