N-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-3-yl]methanesulfonamide

C11H20N6O2S — CID 47029487

IUPACN-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCN(Cc2nnnn2C2CC2)C1
InChIInChI=1S/C11H20N6O2S/c1-20(18,19)13-9-3-2-6-16(7-9)8-11-12-14-15-17(11)10-4-5-10/h9-10,13H,2-8H2,1H3
InChIKeyWDJSJPBFOFWQAO-UHFFFAOYSA-N
MW300.39 g/mol
LogP-0.48
Rot. Bonds5

About N-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-3-yl]methanesulfonamide

N-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-3-yl]methanesulfonamide (PubChem CID 47029487) has the molecular formula C11H20N6O2S and a molecular weight of 300.39 g/mol. Its IUPAC name is N-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-3-yl]methanesulfonamide
PubChem CID47029487
Molecular FormulaC11H20N6O2S
Molecular Weight300.39 g/mol
Exact Mass300.14
IUPAC NameN-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCN(Cc2nnnn2C2CC2)C1
InChIInChI=1S/C11H20N6O2S/c1-20(18,19)13-9-3-2-6-16(7-9)8-11-12-14-15-17(11)10-4-5-10/h9-10,13H,2-8H2,1H3
InChIKeyWDJSJPBFOFWQAO-UHFFFAOYSA-N
XLogP-0.48
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-3-yl]methanesulfonamide (CID 47029487) is N-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-3-yl]methanesulfonamide is CS(=O)(=O)NC1CCCN(Cc2nnnn2C2CC2)C1.
What is the InChIKey of N-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-3-yl]methanesulfonamide?
The InChIKey is WDJSJPBFOFWQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O2S/c1-20(18,19)13-9-3-2-6-16(7-9)8-11-12-14-15-17(11)10-4-5-10/h9-10,13H,2-8H2,1H3.
What are the key properties of N-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-3-yl]methanesulfonamide?
N-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-3-yl]methanesulfonamide has a molecular weight of 300.39 g/mol, XLogP of -0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 47029487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).