N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide

C14H22N6O3S — CID 72859104

IUPACN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide
SMILESCC1CCN(Cc2nnnn2CC(=O)NC2C=CS(=O)(=O)C2)CC1
InChIInChI=1S/C14H22N6O3S/c1-11-2-5-19(6-3-11)8-13-16-17-18-20(13)9-14(21)15-12-4-7-24(22,23)10-12/h4,7,11-12H,2-3,5-6,8-10H2,1H3,(H,15,21)
InChIKeyCKQRFFCEHZDDNG-UHFFFAOYSA-N
MW354.44 g/mol
LogP-0.67
Rot. Bonds5

About N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide

N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide (PubChem CID 72859104) has the molecular formula C14H22N6O3S and a molecular weight of 354.44 g/mol. Its IUPAC name is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide
PubChem CID72859104
Molecular FormulaC14H22N6O3S
Molecular Weight354.44 g/mol
Exact Mass354.15
IUPAC NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide
SMILESCC1CCN(Cc2nnnn2CC(=O)NC2C=CS(=O)(=O)C2)CC1
InChIInChI=1S/C14H22N6O3S/c1-11-2-5-19(6-3-11)8-13-16-17-18-20(13)9-14(21)15-12-4-7-24(22,23)10-12/h4,7,11-12H,2-3,5-6,8-10H2,1H3,(H,15,21)
InChIKeyCKQRFFCEHZDDNG-UHFFFAOYSA-N
XLogP-0.67
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-allyl-N-(1,1-dioxidotetrahydro-3-thienyl)-2-{5-[(4-methyl-1-piperidinyl)methyl]-1H-tetrazol-1-yl}acetamide
CID 45247401
N-(1,1-dioxido-2,3-dihydro-3-thienyl)-4-{5-[(4-methylpiperidin-1-yl)methyl]-1H-tetrazol-1-yl}butanamide
CID 72891878
N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide
CID 97272022
N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide
CID 97272023
N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide
CID 97277879
N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide
CID 97277880

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide?
The IUPAC name of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide (CID 72859104) is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide.
What is the SMILES notation for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide?
The canonical SMILES for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide is CC1CCN(Cc2nnnn2CC(=O)NC2C=CS(=O)(=O)C2)CC1.
What is the InChIKey of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide?
The InChIKey is CKQRFFCEHZDDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O3S/c1-11-2-5-19(6-3-11)8-13-16-17-18-20(13)9-14(21)15-12-4-7-24(22,23)10-12/h4,7,11-12H,2-3,5-6,8-10H2,1H3,(H,15,21).
What are the key properties of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide?
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide has a molecular weight of 354.44 g/mol, XLogP of -0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide is sourced from PubChem (CID 72859104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).