2-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]thiolane-2-carboxamide

C9H15N5OS — CID 81450334

IUPAC2-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]thiolane-2-carboxamide
SMILESCC(NC(=O)C1(C)CCCS1)c1nn[nH]n1
InChIInChI=1S/C9H15N5OS/c1-6(7-11-13-14-12-7)10-8(15)9(2)4-3-5-16-9/h6H,3-5H2,1-2H3,(H,10,15)(H,11,12,13,14)
InChIKeyYUFSQTGMWSEEFU-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.66
Rot. Bonds3

About 2-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]thiolane-2-carboxamide

2-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]thiolane-2-carboxamide (PubChem CID 81450334) has the molecular formula C9H15N5OS and a molecular weight of 241.32 g/mol. Its IUPAC name is 2-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]thiolane-2-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]thiolane-2-carboxamide
PubChem CID81450334
Molecular FormulaC9H15N5OS
Molecular Weight241.32 g/mol
Exact Mass241.10
IUPAC Name2-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]thiolane-2-carboxamide
SMILESCC(NC(=O)C1(C)CCCS1)c1nn[nH]n1
InChIInChI=1S/C9H15N5OS/c1-6(7-11-13-14-12-7)10-8(15)9(2)4-3-5-16-9/h6H,3-5H2,1-2H3,(H,10,15)(H,11,12,13,14)
InChIKeyYUFSQTGMWSEEFU-UHFFFAOYSA-N
XLogP0.66
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

S-[3,3,3-trifluoro-2-[[3-methyl-1-(2H-tetrazol-5-yl)butyl]carbamoyl]propyl] ethanethioate
CID 19938432
(S,S)-2-[(acetylthio)methyl]-3,3,3-trifluoro-N-[3-methyl-1-(1H-tetrazol-5-yl)butyl]propanamide
CID 57084033
S-[(2R)-3,3,3-trifluoro-2-[[(1S)-3-methyl-1-(2H-tetrazol-5-yl)butyl]carbamoyl]propyl] ethanethioate
CID 57160363
S-[(2S)-3,3,3-trifluoro-2-[[3-methyl-1-(2H-tetrazol-5-yl)butyl]carbamoyl]propyl] ethanethioate
CID 88138137
S-[(2R)-3,3,3-trifluoro-2-[[3-methyl-1-(2H-tetrazol-5-yl)butyl]carbamoyl]propyl] ethanethioate
CID 88139328
S-[(2S)-3,3,3-trifluoro-2-[[(1R)-3-methyl-1-(2H-tetrazol-5-yl)butyl]carbamoyl]propyl] ethanethioate
CID 88139329
2-(ethylamino)-4-methyl-1-[3-(2H-tetrazol-5-yl)thiomorpholin-4-yl]pentan-1-one
CID 10041233
2-(ethylamino)-4-methyl-1-[2-(2H-tetrazol-5-yl)-1,3-thiazolidin-3-yl]pentan-1-one
CID 10357350
N-cyclohexyl-3-(2H-tetrazol-5-ylmethylsulfanyl)pentanamide
CID 56998156
3-(2-amino-2-oxoethyl)sulfanyl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide
CID 60928948
1,1-dioxo-N-[1-(2H-tetrazol-5-yl)ethyl]thiolane-3-carboxamide
CID 61851719
3-methylsulfanyl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide
CID 61852109

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]thiolane-2-carboxamide?
The IUPAC name of 2-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]thiolane-2-carboxamide (CID 81450334) is 2-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]thiolane-2-carboxamide.
What is the SMILES notation for 2-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]thiolane-2-carboxamide?
The canonical SMILES for 2-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]thiolane-2-carboxamide is CC(NC(=O)C1(C)CCCS1)c1nn[nH]n1.
What is the InChIKey of 2-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]thiolane-2-carboxamide?
The InChIKey is YUFSQTGMWSEEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5OS/c1-6(7-11-13-14-12-7)10-8(15)9(2)4-3-5-16-9/h6H,3-5H2,1-2H3,(H,10,15)(H,11,12,13,14).
What are the key properties of 2-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]thiolane-2-carboxamide?
2-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]thiolane-2-carboxamide has a molecular weight of 241.32 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]thiolane-2-carboxamide is sourced from PubChem (CID 81450334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).