N-(2-methylsulfanylethyl)-1,1-dioxothian-4-amine

C8H17NO2S2 — CID 63982238

IUPACN-(2-methylsulfanylethyl)-1,1-dioxothian-4-amine
SMILESCSCCNC1CCS(=O)(=O)CC1
InChIInChI=1S/C8H17NO2S2/c1-12-5-4-9-8-2-6-13(10,11)7-3-8/h8-9H,2-7H2,1H3
InChIKeyDYIADGSQASFNMF-UHFFFAOYSA-N
MW223.36 g/mol
LogP0.52
Rot. Bonds4

About N-(2-methylsulfanylethyl)-1,1-dioxothian-4-amine

N-(2-methylsulfanylethyl)-1,1-dioxothian-4-amine (PubChem CID 63982238) has the molecular formula C8H17NO2S2 and a molecular weight of 223.36 g/mol. Its IUPAC name is N-(2-methylsulfanylethyl)-1,1-dioxothian-4-amine.

Molecular Properties

Compound NameN-(2-methylsulfanylethyl)-1,1-dioxothian-4-amine
PubChem CID63982238
Molecular FormulaC8H17NO2S2
Molecular Weight223.36 g/mol
Exact Mass223.07
IUPAC NameN-(2-methylsulfanylethyl)-1,1-dioxothian-4-amine
SMILESCSCCNC1CCS(=O)(=O)CC1
InChIInChI=1S/C8H17NO2S2/c1-12-5-4-9-8-2-6-13(10,11)7-3-8/h8-9H,2-7H2,1H3
InChIKeyDYIADGSQASFNMF-UHFFFAOYSA-N
XLogP0.52
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(1,1-dioxothian-4-yl)amino]butan-2-ol
CID 64910901
N-(1,1-dioxothian-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 43511552
N-(1,1-dioxothian-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43511440
1-[4-(2-methylsulfanylethylamino)piperidin-1-yl]ethanone
CID 60663581
N-(3-methylsulfanylpropyl)cyclopropanamine
CID 28607191
1,1-dioxo-N-prop-2-ynylthian-4-amine
CID 43511413
N-(1,1-dioxothian-4-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62635054
(2R)-2-amino-N-(1,1-dioxothian-4-yl)-4-methylsulfanylbutanamide
CID 104907039
3-[2-[(1,1-dioxothian-4-yl)amino]ethyl]-1,1-dimethylurea
CID 83117132
1-(1,1-dioxothiolan-3-yl)-2-methyl-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111141602
5-[(1,1-dioxothian-4-yl)amino]pentanamide
CID 106233333
3-[2-[(1,1-dioxothiolan-3-yl)amino]ethylsulfanyl]propan-1-ol
CID 104868554

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylethyl)-1,1-dioxothian-4-amine?
The IUPAC name of N-(2-methylsulfanylethyl)-1,1-dioxothian-4-amine (CID 63982238) is N-(2-methylsulfanylethyl)-1,1-dioxothian-4-amine.
What is the SMILES notation for N-(2-methylsulfanylethyl)-1,1-dioxothian-4-amine?
The canonical SMILES for N-(2-methylsulfanylethyl)-1,1-dioxothian-4-amine is CSCCNC1CCS(=O)(=O)CC1.
What is the InChIKey of N-(2-methylsulfanylethyl)-1,1-dioxothian-4-amine?
The InChIKey is DYIADGSQASFNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S2/c1-12-5-4-9-8-2-6-13(10,11)7-3-8/h8-9H,2-7H2,1H3.
What are the key properties of N-(2-methylsulfanylethyl)-1,1-dioxothian-4-amine?
N-(2-methylsulfanylethyl)-1,1-dioxothian-4-amine has a molecular weight of 223.36 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylethyl)-1,1-dioxothian-4-amine is sourced from PubChem (CID 63982238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).