N-ethyl-N-(2-hydroxyethyl)-3-[(1-methyltetrazol-5-yl)methylsulfanyl]propanamide

C10H19N5O2S — CID 21295617

IUPACN-ethyl-N-(2-hydroxyethyl)-3-[(1-methyltetrazol-5-yl)methylsulfanyl]propanamide
SMILESCCN(CCO)C(=O)CCSCc1nnnn1C
InChIInChI=1S/C10H19N5O2S/c1-3-15(5-6-16)10(17)4-7-18-8-9-11-12-13-14(9)2/h16H,3-8H2,1-2H3
InChIKeyMYWVKSMJTBGTAJ-UHFFFAOYSA-N
MW273.36 g/mol
LogP-0.33
Rot. Bonds8

About N-ethyl-N-(2-hydroxyethyl)-3-[(1-methyltetrazol-5-yl)methylsulfanyl]propanamide

N-ethyl-N-(2-hydroxyethyl)-3-[(1-methyltetrazol-5-yl)methylsulfanyl]propanamide (PubChem CID 21295617) has the molecular formula C10H19N5O2S and a molecular weight of 273.36 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxyethyl)-3-[(1-methyltetrazol-5-yl)methylsulfanyl]propanamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxyethyl)-3-[(1-methyltetrazol-5-yl)methylsulfanyl]propanamide
PubChem CID21295617
Molecular FormulaC10H19N5O2S
Molecular Weight273.36 g/mol
Exact Mass273.13
IUPAC NameN-ethyl-N-(2-hydroxyethyl)-3-[(1-methyltetrazol-5-yl)methylsulfanyl]propanamide
SMILESCCN(CCO)C(=O)CCSCc1nnnn1C
InChIInChI=1S/C10H19N5O2S/c1-3-15(5-6-16)10(17)4-7-18-8-9-11-12-13-14(9)2/h16H,3-8H2,1-2H3
InChIKeyMYWVKSMJTBGTAJ-UHFFFAOYSA-N
XLogP-0.33
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxyethyl)-3-[(1-methyltetrazol-5-yl)methylsulfanyl]propanamide?
The IUPAC name of N-ethyl-N-(2-hydroxyethyl)-3-[(1-methyltetrazol-5-yl)methylsulfanyl]propanamide (CID 21295617) is N-ethyl-N-(2-hydroxyethyl)-3-[(1-methyltetrazol-5-yl)methylsulfanyl]propanamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxyethyl)-3-[(1-methyltetrazol-5-yl)methylsulfanyl]propanamide?
The canonical SMILES for N-ethyl-N-(2-hydroxyethyl)-3-[(1-methyltetrazol-5-yl)methylsulfanyl]propanamide is CCN(CCO)C(=O)CCSCc1nnnn1C.
What is the InChIKey of N-ethyl-N-(2-hydroxyethyl)-3-[(1-methyltetrazol-5-yl)methylsulfanyl]propanamide?
The InChIKey is MYWVKSMJTBGTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2S/c1-3-15(5-6-16)10(17)4-7-18-8-9-11-12-13-14(9)2/h16H,3-8H2,1-2H3.
What are the key properties of N-ethyl-N-(2-hydroxyethyl)-3-[(1-methyltetrazol-5-yl)methylsulfanyl]propanamide?
N-ethyl-N-(2-hydroxyethyl)-3-[(1-methyltetrazol-5-yl)methylsulfanyl]propanamide has a molecular weight of 273.36 g/mol, XLogP of -0.33, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxyethyl)-3-[(1-methyltetrazol-5-yl)methylsulfanyl]propanamide is sourced from PubChem (CID 21295617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).