N-methyl-3-methylsulfonyl-N-[(1-propyltetrazol-5-yl)methyl]butan-2-amine

C11H23N5O2S — CID 56805599

IUPACN-methyl-3-methylsulfonyl-N-[(1-propyltetrazol-5-yl)methyl]butan-2-amine
SMILESCCCn1nnnc1CN(C)C(C)C(C)S(C)(=O)=O
InChIInChI=1S/C11H23N5O2S/c1-6-7-16-11(12-13-14-16)8-15(4)9(2)10(3)19(5,17)18/h9-10H,6-8H2,1-5H3
InChIKeyUTOJAZZQOMERPZ-UHFFFAOYSA-N
MW289.41 g/mol
LogP0.34
Rot. Bonds7

About N-methyl-3-methylsulfonyl-N-[(1-propyltetrazol-5-yl)methyl]butan-2-amine

N-methyl-3-methylsulfonyl-N-[(1-propyltetrazol-5-yl)methyl]butan-2-amine (PubChem CID 56805599) has the molecular formula C11H23N5O2S and a molecular weight of 289.41 g/mol. Its IUPAC name is N-methyl-3-methylsulfonyl-N-[(1-propyltetrazol-5-yl)methyl]butan-2-amine.

Molecular Properties

Compound NameN-methyl-3-methylsulfonyl-N-[(1-propyltetrazol-5-yl)methyl]butan-2-amine
PubChem CID56805599
Molecular FormulaC11H23N5O2S
Molecular Weight289.41 g/mol
Exact Mass289.16
IUPAC NameN-methyl-3-methylsulfonyl-N-[(1-propyltetrazol-5-yl)methyl]butan-2-amine
SMILESCCCn1nnnc1CN(C)C(C)C(C)S(C)(=O)=O
InChIInChI=1S/C11H23N5O2S/c1-6-7-16-11(12-13-14-16)8-15(4)9(2)10(3)19(5,17)18/h9-10H,6-8H2,1-5H3
InChIKeyUTOJAZZQOMERPZ-UHFFFAOYSA-N
XLogP0.34
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.41
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-methylsulfonyl-N-[(1-propyltetrazol-5-yl)methyl]butan-2-amine?
The IUPAC name of N-methyl-3-methylsulfonyl-N-[(1-propyltetrazol-5-yl)methyl]butan-2-amine (CID 56805599) is N-methyl-3-methylsulfonyl-N-[(1-propyltetrazol-5-yl)methyl]butan-2-amine.
What is the SMILES notation for N-methyl-3-methylsulfonyl-N-[(1-propyltetrazol-5-yl)methyl]butan-2-amine?
The canonical SMILES for N-methyl-3-methylsulfonyl-N-[(1-propyltetrazol-5-yl)methyl]butan-2-amine is CCCn1nnnc1CN(C)C(C)C(C)S(C)(=O)=O.
What is the InChIKey of N-methyl-3-methylsulfonyl-N-[(1-propyltetrazol-5-yl)methyl]butan-2-amine?
The InChIKey is UTOJAZZQOMERPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N5O2S/c1-6-7-16-11(12-13-14-16)8-15(4)9(2)10(3)19(5,17)18/h9-10H,6-8H2,1-5H3.
What are the key properties of N-methyl-3-methylsulfonyl-N-[(1-propyltetrazol-5-yl)methyl]butan-2-amine?
N-methyl-3-methylsulfonyl-N-[(1-propyltetrazol-5-yl)methyl]butan-2-amine has a molecular weight of 289.41 g/mol, XLogP of 0.34, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-methylsulfonyl-N-[(1-propyltetrazol-5-yl)methyl]butan-2-amine is sourced from PubChem (CID 56805599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).