2-methyl-N-[[1-(3-methylsulfonylpropyl)tetrazol-5-yl]methyl]propan-1-amine

C10H21N5O2S — CID 55109396

IUPAC2-methyl-N-[[1-(3-methylsulfonylpropyl)tetrazol-5-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1nnnn1CCCS(C)(=O)=O
InChIInChI=1S/C10H21N5O2S/c1-9(2)7-11-8-10-12-13-14-15(10)5-4-6-18(3,16)17/h9,11H,4-8H2,1-3H3
InChIKeyAGWBWGLXMCLLLO-UHFFFAOYSA-N
MW275.38 g/mol
LogP-0.15
Rot. Bonds8

About 2-methyl-N-[[1-(3-methylsulfonylpropyl)tetrazol-5-yl]methyl]propan-1-amine

2-methyl-N-[[1-(3-methylsulfonylpropyl)tetrazol-5-yl]methyl]propan-1-amine (PubChem CID 55109396) has the molecular formula C10H21N5O2S and a molecular weight of 275.38 g/mol. Its IUPAC name is 2-methyl-N-[[1-(3-methylsulfonylpropyl)tetrazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(3-methylsulfonylpropyl)tetrazol-5-yl]methyl]propan-1-amine
PubChem CID55109396
Molecular FormulaC10H21N5O2S
Molecular Weight275.38 g/mol
Exact Mass275.14
IUPAC Name2-methyl-N-[[1-(3-methylsulfonylpropyl)tetrazol-5-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1nnnn1CCCS(C)(=O)=O
InChIInChI=1S/C10H21N5O2S/c1-9(2)7-11-8-10-12-13-14-15(10)5-4-6-18(3,16)17/h9,11H,4-8H2,1-3H3
InChIKeyAGWBWGLXMCLLLO-UHFFFAOYSA-N
XLogP-0.15
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-N-[(1-propyltetrazol-5-yl)methyl]propane-1-sulfonamide
CID 71996833
2-methyl-N-[[1-[2-(trifluoromethylsulfanyl)ethyl]tetrazol-5-yl]methyl]propan-1-amine
CID 114188225
N-[[1-(3-methyl-1,1-dioxothiolan-3-yl)tetrazol-5-yl]methyl]propan-2-amine
CID 55108823
2-methyl-N-[[1-(2-methylsulfonylethyl)tetrazol-5-yl]methyl]propan-2-amine
CID 55109102
N-[[1-(1,1-dioxothian-4-yl)tetrazol-5-yl]methyl]cyclopropanamine
CID 55109297
N-[[1-(3-methylsulfonylpropyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 55109397
N-[[1-(1,1-dioxothiolan-3-yl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine
CID 55109438
N-[[1-(1,1-dioxothiolan-3-yl)tetrazol-5-yl]methyl]cyclopropanamine
CID 55109439
N-[[1-[(1,1-dioxothiolan-3-yl)methyl]tetrazol-5-yl]methyl]propan-1-amine
CID 55109487
2-methyl-N-[[1-(3-methyl-1,1-dioxothiolan-3-yl)tetrazol-5-yl]methyl]propan-1-amine
CID 55109539
N-methyl-3-methylsulfonyl-N-[(1-propyltetrazol-5-yl)methyl]butan-2-amine
CID 56805599
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-methylsulfonylpropan-1-amine
CID 61019845

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(3-methylsulfonylpropyl)tetrazol-5-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[1-(3-methylsulfonylpropyl)tetrazol-5-yl]methyl]propan-1-amine (CID 55109396) is 2-methyl-N-[[1-(3-methylsulfonylpropyl)tetrazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[1-(3-methylsulfonylpropyl)tetrazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[1-(3-methylsulfonylpropyl)tetrazol-5-yl]methyl]propan-1-amine is CC(C)CNCc1nnnn1CCCS(C)(=O)=O.
What is the InChIKey of 2-methyl-N-[[1-(3-methylsulfonylpropyl)tetrazol-5-yl]methyl]propan-1-amine?
The InChIKey is AGWBWGLXMCLLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N5O2S/c1-9(2)7-11-8-10-12-13-14-15(10)5-4-6-18(3,16)17/h9,11H,4-8H2,1-3H3.
What are the key properties of 2-methyl-N-[[1-(3-methylsulfonylpropyl)tetrazol-5-yl]methyl]propan-1-amine?
2-methyl-N-[[1-(3-methylsulfonylpropyl)tetrazol-5-yl]methyl]propan-1-amine has a molecular weight of 275.38 g/mol, XLogP of -0.15, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(3-methylsulfonylpropyl)tetrazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 55109396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).