7-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)heptan-1-amine

C12H26N2O2S — CID 102884168

IUPAC7-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)heptan-1-amine
SMILESCC1CS(=O)(=O)CCN1CCCCCCCN
InChIInChI=1S/C12H26N2O2S/c1-12-11-17(15,16)10-9-14(12)8-6-4-2-3-5-7-13/h12H,2-11,13H2,1H3
InChIKeyQPVZONWNJWJTRI-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.01
Rot. Bonds7

About 7-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)heptan-1-amine

7-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)heptan-1-amine (PubChem CID 102884168) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 7-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)heptan-1-amine.

Molecular Properties

Compound Name7-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)heptan-1-amine
PubChem CID102884168
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC Name7-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)heptan-1-amine
SMILESCC1CS(=O)(=O)CCN1CCCCCCCN
InChIInChI=1S/C12H26N2O2S/c1-12-11-17(15,16)10-9-14(12)8-6-4-2-3-5-7-13/h12H,2-11,13H2,1H3
InChIKeyQPVZONWNJWJTRI-UHFFFAOYSA-N
XLogP1.01
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)heptan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentan-1-amine
CID 102882862
4-(2-chloroethyl)-3-methyl-1,4-thiazinane 1,1-dioxide
CID 102885899
4-(3-azidopropyl)-3-methyl-1,4-thiazinane 1,1-dioxide
CID 102885976
ethyl 2-amino-2-methyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexanoate
CID 102886125
4-amino-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-1-one
CID 103797329
2-methyl-N-[3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propyl]propan-1-amine
CID 102886819
2-methyl-2-(methylamino)-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexanoic acid
CID 102886124
2-methyl-2-(methylamino)-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexan-1-ol
CID 102887322
(3R)-4-[(3S)-3-fluorobutyl]-3-methyl-1,4-thiazinane 1,1-dioxide
CID 129348667
4-[2-(azetidin-3-yl)ethyl]-3-methyl-1,4-thiazinane 1,1-dioxide
CID 102884162
(3R)-3-methyl-4-[3-(2-methylphenyl)propyl]-1,4-thiazinane 1,1-dioxide
CID 97007589
methyl 2-amino-2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butanoate
CID 102886175

Frequently Asked Questions

What is the IUPAC name of 7-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)heptan-1-amine?
The IUPAC name of 7-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)heptan-1-amine (CID 102884168) is 7-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)heptan-1-amine.
What is the SMILES notation for 7-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)heptan-1-amine?
The canonical SMILES for 7-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)heptan-1-amine is CC1CS(=O)(=O)CCN1CCCCCCCN.
What is the InChIKey of 7-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)heptan-1-amine?
The InChIKey is QPVZONWNJWJTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-12-11-17(15,16)10-9-14(12)8-6-4-2-3-5-7-13/h12H,2-11,13H2,1H3.
What are the key properties of 7-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)heptan-1-amine?
7-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)heptan-1-amine has a molecular weight of 262.42 g/mol, XLogP of 1.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)heptan-1-amine is sourced from PubChem (CID 102884168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).