N-[[1-(3-methylsulfonylpropyl)tetrazol-5-yl]methyl]cyclopropanamine

C9H17N5O2S — CID 55109397

IUPACN-[[1-(3-methylsulfonylpropyl)tetrazol-5-yl]methyl]cyclopropanamine
SMILESCS(=O)(=O)CCCn1nnnc1CNC1CC1
InChIInChI=1S/C9H17N5O2S/c1-17(15,16)6-2-5-14-9(11-12-13-14)7-10-8-3-4-8/h8,10H,2-7H2,1H3
InChIKeyQWMTUKBKVRNTLS-UHFFFAOYSA-N
MW259.33 g/mol
LogP-0.64
Rot. Bonds7

About N-[[1-(3-methylsulfonylpropyl)tetrazol-5-yl]methyl]cyclopropanamine

N-[[1-(3-methylsulfonylpropyl)tetrazol-5-yl]methyl]cyclopropanamine (PubChem CID 55109397) has the molecular formula C9H17N5O2S and a molecular weight of 259.33 g/mol. Its IUPAC name is N-[[1-(3-methylsulfonylpropyl)tetrazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(3-methylsulfonylpropyl)tetrazol-5-yl]methyl]cyclopropanamine
PubChem CID55109397
Molecular FormulaC9H17N5O2S
Molecular Weight259.33 g/mol
Exact Mass259.11
IUPAC NameN-[[1-(3-methylsulfonylpropyl)tetrazol-5-yl]methyl]cyclopropanamine
SMILESCS(=O)(=O)CCCn1nnnc1CNC1CC1
InChIInChI=1S/C9H17N5O2S/c1-17(15,16)6-2-5-14-9(11-12-13-14)7-10-8-3-4-8/h8,10H,2-7H2,1H3
InChIKeyQWMTUKBKVRNTLS-UHFFFAOYSA-N
XLogP-0.64
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methylsulfonylpropyl)tetrazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(3-methylsulfonylpropyl)tetrazol-5-yl]methyl]cyclopropanamine (CID 55109397) is N-[[1-(3-methylsulfonylpropyl)tetrazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(3-methylsulfonylpropyl)tetrazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(3-methylsulfonylpropyl)tetrazol-5-yl]methyl]cyclopropanamine is CS(=O)(=O)CCCn1nnnc1CNC1CC1.
What is the InChIKey of N-[[1-(3-methylsulfonylpropyl)tetrazol-5-yl]methyl]cyclopropanamine?
The InChIKey is QWMTUKBKVRNTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2S/c1-17(15,16)6-2-5-14-9(11-12-13-14)7-10-8-3-4-8/h8,10H,2-7H2,1H3.
What are the key properties of N-[[1-(3-methylsulfonylpropyl)tetrazol-5-yl]methyl]cyclopropanamine?
N-[[1-(3-methylsulfonylpropyl)tetrazol-5-yl]methyl]cyclopropanamine has a molecular weight of 259.33 g/mol, XLogP of -0.64, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methylsulfonylpropyl)tetrazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 55109397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).