2-[(2-methyltetrazol-5-yl)methylsulfinyl]ethanamine

C5H11N5OS — CID 107059372

IUPAC2-[(2-methyltetrazol-5-yl)methylsulfinyl]ethanamine
SMILESCn1nnc(CS(=O)CCN)n1
InChIInChI=1S/C5H11N5OS/c1-10-8-5(7-9-10)4-12(11)3-2-6/h2-4,6H2,1H3
InChIKeyDUVHBMHAULRZCX-UHFFFAOYSA-N
MW189.24 g/mol
LogP-1.58
Rot. Bonds4

About 2-[(2-methyltetrazol-5-yl)methylsulfinyl]ethanamine

2-[(2-methyltetrazol-5-yl)methylsulfinyl]ethanamine (PubChem CID 107059372) has the molecular formula C5H11N5OS and a molecular weight of 189.24 g/mol. Its IUPAC name is 2-[(2-methyltetrazol-5-yl)methylsulfinyl]ethanamine.

Molecular Properties

Compound Name2-[(2-methyltetrazol-5-yl)methylsulfinyl]ethanamine
PubChem CID107059372
Molecular FormulaC5H11N5OS
Molecular Weight189.24 g/mol
Exact Mass189.07
IUPAC Name2-[(2-methyltetrazol-5-yl)methylsulfinyl]ethanamine
SMILESCn1nnc(CS(=O)CCN)n1
InChIInChI=1S/C5H11N5OS/c1-10-8-5(7-9-10)4-12(11)3-2-6/h2-4,6H2,1H3
InChIKeyDUVHBMHAULRZCX-UHFFFAOYSA-N
XLogP-1.58
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 5-1.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-1-[(2-methyltetrazol-5-yl)methylsulfinyl]propan-2-amine
CID 107059489
2-[(1-methyltriazol-4-yl)methylsulfinyl]ethanamine
CID 107059374
2-[(2-methyltetrazol-5-yl)methylsulfinyl]propanoic acid
CID 107051987
2-[4-[(2-methyltetrazol-5-yl)methyl]piperazin-1-yl]ethanamine
CID 107041759
3-[4-[(2-methyltetrazol-5-yl)methyl]piperazin-1-yl]propan-1-amine
CID 107041756
methyl 2-[1-[(2-methyltetrazol-5-yl)methylsulfinylmethyl]cyclopropyl]acetate
CID 107777875
4-[(2-methyltetrazol-5-yl)methylsulfinyl]pyridin-3-amine
CID 107052262
6-amino-1-(2-methyltetrazol-5-yl)hexan-2-one
CID 107062048
3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butan-1-amine
CID 107052807
6-amino-3-methyl-1-(2-methyltetrazol-5-yl)hexan-2-one
CID 107062534
2-[(2-methyltetrazol-5-yl)methylsulfinyl]-3-phenylpropanoic acid
CID 107051992
2-[(2-methyltetrazol-5-yl)methylsulfinyl]-3H-benzimidazol-5-amine
CID 107052253

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyltetrazol-5-yl)methylsulfinyl]ethanamine?
The IUPAC name of 2-[(2-methyltetrazol-5-yl)methylsulfinyl]ethanamine (CID 107059372) is 2-[(2-methyltetrazol-5-yl)methylsulfinyl]ethanamine.
What is the SMILES notation for 2-[(2-methyltetrazol-5-yl)methylsulfinyl]ethanamine?
The canonical SMILES for 2-[(2-methyltetrazol-5-yl)methylsulfinyl]ethanamine is Cn1nnc(CS(=O)CCN)n1.
What is the InChIKey of 2-[(2-methyltetrazol-5-yl)methylsulfinyl]ethanamine?
The InChIKey is DUVHBMHAULRZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N5OS/c1-10-8-5(7-9-10)4-12(11)3-2-6/h2-4,6H2,1H3.
What are the key properties of 2-[(2-methyltetrazol-5-yl)methylsulfinyl]ethanamine?
2-[(2-methyltetrazol-5-yl)methylsulfinyl]ethanamine has a molecular weight of 189.24 g/mol, XLogP of -1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyltetrazol-5-yl)methylsulfinyl]ethanamine is sourced from PubChem (CID 107059372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).