N-[2-[5-[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]thiophen-2-yl]ethyl]methanesulfonamide

C15H21N5O3S3 — CID 24527920

IUPACN-[2-[5-[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]thiophen-2-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCc1ccc(C(=O)CSc2nnnn2C2CCCC2)s1
InChIInChI=1S/C15H21N5O3S3/c1-26(22,23)16-9-8-12-6-7-14(25-12)13(21)10-24-15-17-18-19-20(15)11-4-2-3-5-11/h6-7,11,16H,2-5,8-10H2,1H3
InChIKeyDESIRWMDASFTSP-UHFFFAOYSA-N
MW415.57 g/mol
LogP1.92
Rot. Bonds9

About N-[2-[5-[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]thiophen-2-yl]ethyl]methanesulfonamide

N-[2-[5-[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]thiophen-2-yl]ethyl]methanesulfonamide (PubChem CID 24527920) has the molecular formula C15H21N5O3S3 and a molecular weight of 415.57 g/mol. Its IUPAC name is N-[2-[5-[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]thiophen-2-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[5-[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]thiophen-2-yl]ethyl]methanesulfonamide
PubChem CID24527920
Molecular FormulaC15H21N5O3S3
Molecular Weight415.57 g/mol
Exact Mass415.08
IUPAC NameN-[2-[5-[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]thiophen-2-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCc1ccc(C(=O)CSc2nnnn2C2CCCC2)s1
InChIInChI=1S/C15H21N5O3S3/c1-26(22,23)16-9-8-12-6-7-14(25-12)13(21)10-24-15-17-18-19-20(15)11-4-2-3-5-11/h6-7,11,16H,2-5,8-10H2,1H3
InChIKeyDESIRWMDASFTSP-UHFFFAOYSA-N
XLogP1.92
TPSA106.84 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.57
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]thiophen-2-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[5-[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]thiophen-2-yl]ethyl]methanesulfonamide (CID 24527920) is N-[2-[5-[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]thiophen-2-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[5-[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]thiophen-2-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[5-[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]thiophen-2-yl]ethyl]methanesulfonamide is CS(=O)(=O)NCCc1ccc(C(=O)CSc2nnnn2C2CCCC2)s1.
What is the InChIKey of N-[2-[5-[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]thiophen-2-yl]ethyl]methanesulfonamide?
The InChIKey is DESIRWMDASFTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3S3/c1-26(22,23)16-9-8-12-6-7-14(25-12)13(21)10-24-15-17-18-19-20(15)11-4-2-3-5-11/h6-7,11,16H,2-5,8-10H2,1H3.
What are the key properties of N-[2-[5-[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]thiophen-2-yl]ethyl]methanesulfonamide?
N-[2-[5-[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]thiophen-2-yl]ethyl]methanesulfonamide has a molecular weight of 415.57 g/mol, XLogP of 1.92, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]thiophen-2-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 24527920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).