N-[2-[(2-methyltetrazol-5-yl)methylamino]ethyl]methanesulfonamide

C6H14N6O2S — CID 107042158

IUPACN-[2-[(2-methyltetrazol-5-yl)methylamino]ethyl]methanesulfonamide
SMILESCn1nnc(CNCCNS(C)(=O)=O)n1
InChIInChI=1S/C6H14N6O2S/c1-12-10-6(9-11-12)5-7-3-4-8-15(2,13)14/h7-8H,3-5H2,1-2H3
InChIKeyJVHFHQKYQLNKAP-UHFFFAOYSA-N
MW234.28 g/mol
LogP-2.15
Rot. Bonds6

About N-[2-[(2-methyltetrazol-5-yl)methylamino]ethyl]methanesulfonamide

N-[2-[(2-methyltetrazol-5-yl)methylamino]ethyl]methanesulfonamide (PubChem CID 107042158) has the molecular formula C6H14N6O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is N-[2-[(2-methyltetrazol-5-yl)methylamino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(2-methyltetrazol-5-yl)methylamino]ethyl]methanesulfonamide
PubChem CID107042158
Molecular FormulaC6H14N6O2S
Molecular Weight234.28 g/mol
Exact Mass234.09
IUPAC NameN-[2-[(2-methyltetrazol-5-yl)methylamino]ethyl]methanesulfonamide
SMILESCn1nnc(CNCCNS(C)(=O)=O)n1
InChIInChI=1S/C6H14N6O2S/c1-12-10-6(9-11-12)5-7-3-4-8-15(2,13)14/h7-8H,3-5H2,1-2H3
InChIKeyJVHFHQKYQLNKAP-UHFFFAOYSA-N
XLogP-2.15
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 5-2.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-methyltetrazol-5-yl)methyl]methanesulfonamide
CID 130618771
N-[(2-methyltetrazol-5-yl)methyl]-2-piperidin-1-ylethanamine
CID 107042293
N-[(2-methyltetrazol-5-yl)methyl]-2-(triazol-1-yl)ethanamine
CID 107042671
N-(2-methylpropyl)-3-[(2-methyltetrazol-5-yl)methylamino]propanamide
CID 107042666
2-ethyl-N-[(2-methyltetrazol-5-yl)methyl]butan-1-amine
CID 107042740
2-(2-fluorophenyl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine
CID 107042037
N-[(2-methyltetrazol-5-yl)methyl]-2-pyridin-2-ylethanamine
CID 107042048
N-[2-(1H-pyrazol-5-ylmethylamino)ethyl]methanesulfonamide
CID 43662504
N-[2-[(5-methyl-1H-imidazol-4-yl)methylamino]ethyl]methanesulfonamide
CID 62748511
2-bromo-N-[(2-methyltetrazol-5-yl)methyl]prop-2-en-1-amine
CID 107042685
3-methyl-N-[(2-methyltetrazol-5-yl)methyl]but-2-en-1-amine
CID 107166974
2,3,3-trimethyl-N-[(2-methyltetrazol-5-yl)methyl]butan-1-amine
CID 107042638

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methyltetrazol-5-yl)methylamino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(2-methyltetrazol-5-yl)methylamino]ethyl]methanesulfonamide (CID 107042158) is N-[2-[(2-methyltetrazol-5-yl)methylamino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(2-methyltetrazol-5-yl)methylamino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(2-methyltetrazol-5-yl)methylamino]ethyl]methanesulfonamide is Cn1nnc(CNCCNS(C)(=O)=O)n1.
What is the InChIKey of N-[2-[(2-methyltetrazol-5-yl)methylamino]ethyl]methanesulfonamide?
The InChIKey is JVHFHQKYQLNKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N6O2S/c1-12-10-6(9-11-12)5-7-3-4-8-15(2,13)14/h7-8H,3-5H2,1-2H3.
What are the key properties of N-[2-[(2-methyltetrazol-5-yl)methylamino]ethyl]methanesulfonamide?
N-[2-[(2-methyltetrazol-5-yl)methylamino]ethyl]methanesulfonamide has a molecular weight of 234.28 g/mol, XLogP of -2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methyltetrazol-5-yl)methylamino]ethyl]methanesulfonamide is sourced from PubChem (CID 107042158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).