N-[(1-cyclopentyltetrazol-5-yl)methyl]methanesulfonamide

C8H15N5O2S — CID 30295746

IUPACN-[(1-cyclopentyltetrazol-5-yl)methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1nnnn1C1CCCC1
InChIInChI=1S/C8H15N5O2S/c1-16(14,15)9-6-8-10-11-12-13(8)7-4-2-3-5-7/h7,9H,2-6H2,1H3
InChIKeyCMOIHPQWCQGWAS-UHFFFAOYSA-N
MW245.31 g/mol
LogP-0.16
Rot. Bonds4

About N-[(1-cyclopentyltetrazol-5-yl)methyl]methanesulfonamide

N-[(1-cyclopentyltetrazol-5-yl)methyl]methanesulfonamide (PubChem CID 30295746) has the molecular formula C8H15N5O2S and a molecular weight of 245.31 g/mol. Its IUPAC name is N-[(1-cyclopentyltetrazol-5-yl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1-cyclopentyltetrazol-5-yl)methyl]methanesulfonamide
PubChem CID30295746
Molecular FormulaC8H15N5O2S
Molecular Weight245.31 g/mol
Exact Mass245.09
IUPAC NameN-[(1-cyclopentyltetrazol-5-yl)methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1nnnn1C1CCCC1
InChIInChI=1S/C8H15N5O2S/c1-16(14,15)9-6-8-10-11-12-13(8)7-4-2-3-5-7/h7,9H,2-6H2,1H3
InChIKeyCMOIHPQWCQGWAS-UHFFFAOYSA-N
XLogP-0.16
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentyltetrazol-5-yl)methyl]methanesulfonamide?
The IUPAC name of N-[(1-cyclopentyltetrazol-5-yl)methyl]methanesulfonamide (CID 30295746) is N-[(1-cyclopentyltetrazol-5-yl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(1-cyclopentyltetrazol-5-yl)methyl]methanesulfonamide?
The canonical SMILES for N-[(1-cyclopentyltetrazol-5-yl)methyl]methanesulfonamide is CS(=O)(=O)NCc1nnnn1C1CCCC1.
What is the InChIKey of N-[(1-cyclopentyltetrazol-5-yl)methyl]methanesulfonamide?
The InChIKey is CMOIHPQWCQGWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O2S/c1-16(14,15)9-6-8-10-11-12-13(8)7-4-2-3-5-7/h7,9H,2-6H2,1H3.
What are the key properties of N-[(1-cyclopentyltetrazol-5-yl)methyl]methanesulfonamide?
N-[(1-cyclopentyltetrazol-5-yl)methyl]methanesulfonamide has a molecular weight of 245.31 g/mol, XLogP of -0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentyltetrazol-5-yl)methyl]methanesulfonamide is sourced from PubChem (CID 30295746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).