2-methyl-1-[(2-methyltetrazol-5-yl)methylsulfinyl]propan-2-amine

C7H15N5OS — CID 107059489

IUPAC2-methyl-1-[(2-methyltetrazol-5-yl)methylsulfinyl]propan-2-amine
SMILESCn1nnc(CS(=O)CC(C)(C)N)n1
InChIInChI=1S/C7H15N5OS/c1-7(2,8)5-14(13)4-6-9-11-12(3)10-6/h4-5,8H2,1-3H3
InChIKeyINMIJWWFPPXNGX-UHFFFAOYSA-N
MW217.30 g/mol
LogP-0.80
Rot. Bonds4

About 2-methyl-1-[(2-methyltetrazol-5-yl)methylsulfinyl]propan-2-amine

2-methyl-1-[(2-methyltetrazol-5-yl)methylsulfinyl]propan-2-amine (PubChem CID 107059489) has the molecular formula C7H15N5OS and a molecular weight of 217.30 g/mol. Its IUPAC name is 2-methyl-1-[(2-methyltetrazol-5-yl)methylsulfinyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-1-[(2-methyltetrazol-5-yl)methylsulfinyl]propan-2-amine
PubChem CID107059489
Molecular FormulaC7H15N5OS
Molecular Weight217.30 g/mol
Exact Mass217.10
IUPAC Name2-methyl-1-[(2-methyltetrazol-5-yl)methylsulfinyl]propan-2-amine
SMILESCn1nnc(CS(=O)CC(C)(C)N)n1
InChIInChI=1S/C7H15N5OS/c1-7(2,8)5-14(13)4-6-9-11-12(3)10-6/h4-5,8H2,1-3H3
InChIKeyINMIJWWFPPXNGX-UHFFFAOYSA-N
XLogP-0.80
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.30
LogP ≤ 5-0.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-methyltetrazol-5-yl)methylsulfinyl]ethanamine
CID 107059372
2-[(2-methyltetrazol-5-yl)methylsulfinyl]propanoic acid
CID 107051987
2,3-dimethyl-1-(2-methyltetrazol-5-yl)butan-2-amine
CID 107046659
2-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methylsulfinyl]propan-2-amine
CID 81188885
methyl 2-[1-[(2-methyltetrazol-5-yl)methylsulfinylmethyl]cyclopropyl]acetate
CID 107777875
4-[(2-methyltetrazol-5-yl)methylsulfinyl]pyridin-3-amine
CID 107052262
2,2-dimethyl-3-(2-methyltetrazol-5-yl)propanoic acid
CID 107045107
4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107047057
N-[(2-methyltetrazol-5-yl)methyl]methanesulfonamide
CID 130618771
2-methyl-N-[2-(2-methyltetrazol-5-yl)ethyl]propan-2-amine
CID 107049249
5-[3-chloro-2-(chloromethyl)-2-methylpropyl]-2-methyltetrazole
CID 107058457
2-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methylsulfinyl]propan-2-amine
CID 81189112

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(2-methyltetrazol-5-yl)methylsulfinyl]propan-2-amine?
The IUPAC name of 2-methyl-1-[(2-methyltetrazol-5-yl)methylsulfinyl]propan-2-amine (CID 107059489) is 2-methyl-1-[(2-methyltetrazol-5-yl)methylsulfinyl]propan-2-amine.
What is the SMILES notation for 2-methyl-1-[(2-methyltetrazol-5-yl)methylsulfinyl]propan-2-amine?
The canonical SMILES for 2-methyl-1-[(2-methyltetrazol-5-yl)methylsulfinyl]propan-2-amine is Cn1nnc(CS(=O)CC(C)(C)N)n1.
What is the InChIKey of 2-methyl-1-[(2-methyltetrazol-5-yl)methylsulfinyl]propan-2-amine?
The InChIKey is INMIJWWFPPXNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5OS/c1-7(2,8)5-14(13)4-6-9-11-12(3)10-6/h4-5,8H2,1-3H3.
What are the key properties of 2-methyl-1-[(2-methyltetrazol-5-yl)methylsulfinyl]propan-2-amine?
2-methyl-1-[(2-methyltetrazol-5-yl)methylsulfinyl]propan-2-amine has a molecular weight of 217.30 g/mol, XLogP of -0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(2-methyltetrazol-5-yl)methylsulfinyl]propan-2-amine is sourced from PubChem (CID 107059489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).