N-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]prop-2-en-1-amine

C9H18N2OS — CID 62553911

IUPACN-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]prop-2-en-1-amine
SMILESC=CCNCCN1CCS(=O)CC1
InChIInChI=1S/C9H18N2OS/c1-2-3-10-4-5-11-6-8-13(12)9-7-11/h2,10H,1,3-9H2
InChIKeyNVMVOJPEMHWBRP-UHFFFAOYSA-N
MW202.32 g/mol
LogP-0.17
Rot. Bonds5

About N-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]prop-2-en-1-amine

N-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]prop-2-en-1-amine (PubChem CID 62553911) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is N-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]prop-2-en-1-amine
PubChem CID62553911
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC NameN-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]prop-2-en-1-amine
SMILESC=CCNCCN1CCS(=O)CC1
InChIInChI=1S/C9H18N2OS/c1-2-3-10-4-5-11-6-8-13(12)9-7-11/h2,10H,1,3-9H2
InChIKeyNVMVOJPEMHWBRP-UHFFFAOYSA-N
XLogP-0.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]prop-2-en-1-amine?
The IUPAC name of N-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]prop-2-en-1-amine (CID 62553911) is N-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]prop-2-en-1-amine.
What is the SMILES notation for N-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]prop-2-en-1-amine?
The canonical SMILES for N-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]prop-2-en-1-amine is C=CCNCCN1CCS(=O)CC1.
What is the InChIKey of N-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]prop-2-en-1-amine?
The InChIKey is NVMVOJPEMHWBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS/c1-2-3-10-4-5-11-6-8-13(12)9-7-11/h2,10H,1,3-9H2.
What are the key properties of N-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]prop-2-en-1-amine?
N-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]prop-2-en-1-amine has a molecular weight of 202.32 g/mol, XLogP of -0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]prop-2-en-1-amine is sourced from PubChem (CID 62553911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).