(3S,4S)-3-iodo-1,1-dioxothian-4-amine

C5H10INO2S — CID 89493495

IUPAC(3S,4S)-3-iodo-1,1-dioxothian-4-amine
SMILESN[C@H]1CCS(=O)(=O)C[C@H]1I
InChIInChI=1S/C5H10INO2S/c6-4-3-10(8,9)2-1-5(4)7/h4-5H,1-3,7H2/t4-,5+/m1/s1
InChIKeyWQDLVTPOBDAHCG-UHNVWZDZSA-N
MW275.11 g/mol
LogP-0.06
Rot. Bonds

About (3S,4S)-3-iodo-1,1-dioxothian-4-amine

(3S,4S)-3-iodo-1,1-dioxothian-4-amine (PubChem CID 89493495) has the molecular formula C5H10INO2S and a molecular weight of 275.11 g/mol. Its IUPAC name is (3S,4S)-3-iodo-1,1-dioxothian-4-amine.

Molecular Properties

Compound Name(3S,4S)-3-iodo-1,1-dioxothian-4-amine
PubChem CID89493495
Molecular FormulaC5H10INO2S
Molecular Weight275.11 g/mol
Exact Mass274.95
IUPAC Name(3S,4S)-3-iodo-1,1-dioxothian-4-amine
SMILESN[C@H]1CCS(=O)(=O)C[C@H]1I
InChIInChI=1S/C5H10INO2S/c6-4-3-10(8,9)2-1-5(4)7/h4-5H,1-3,7H2/t4-,5+/m1/s1
InChIKeyWQDLVTPOBDAHCG-UHNVWZDZSA-N
XLogP-0.06
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.11
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S,4R)-1,1-dioxothiane-3,4-diamine
CID 124661417
1,1-dioxo-3-propylthian-4-amine
CID 83484055
(3R)-1,1-dioxothiolan-3-amine;hydrochloride
CID 67041261
1,1-dioxothiolan-3-amine;hydrochloride
CID 2795201
3-(2-fluoroethyl)-1,1-dioxothian-4-amine
CID 115020249
1,2,3,3a,4,6,7,7a-octahydrothiopyrano[3,4-c]pyrrole 5,5-dioxide
CID 105436279
1,1-dioxothiolan-3-amine;sulfuric acid
CID 154884353
1-[(1,1-dioxothiolan-3-yl)methyl]piperidin-4-amine
CID 62133246
(3S)-1,1-dioxothiolan-3-ol
CID 98144245
(3R,4R)-3,4-dimethylthiane 1,1-dioxide
CID 58714657
(1,1-dioxothiolan-3-yl)azanium acetate
CID 43827459
3-(2-methylphenyl)-1,1-dioxothian-4-amine
CID 84799838

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-iodo-1,1-dioxothian-4-amine?
The IUPAC name of (3S,4S)-3-iodo-1,1-dioxothian-4-amine (CID 89493495) is (3S,4S)-3-iodo-1,1-dioxothian-4-amine.
What is the SMILES notation for (3S,4S)-3-iodo-1,1-dioxothian-4-amine?
The canonical SMILES for (3S,4S)-3-iodo-1,1-dioxothian-4-amine is N[C@H]1CCS(=O)(=O)C[C@H]1I.
What is the InChIKey of (3S,4S)-3-iodo-1,1-dioxothian-4-amine?
The InChIKey is WQDLVTPOBDAHCG-UHNVWZDZSA-N. The full InChI is InChI=1S/C5H10INO2S/c6-4-3-10(8,9)2-1-5(4)7/h4-5H,1-3,7H2/t4-,5+/m1/s1.
What are the key properties of (3S,4S)-3-iodo-1,1-dioxothian-4-amine?
(3S,4S)-3-iodo-1,1-dioxothian-4-amine has a molecular weight of 275.11 g/mol, XLogP of -0.06, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-iodo-1,1-dioxothian-4-amine is sourced from PubChem (CID 89493495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).