[(3S)-1,1-dioxothiolan-3-yl]-(3-methoxypropyl)azanium

C8H18NO3S+ — CID 7128966

IUPAC[(3S)-1,1-dioxothiolan-3-yl]-(3-methoxypropyl)azanium
SMILESCOCCC[NH2+][C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C8H17NO3S/c1-12-5-2-4-9-8-3-6-13(10,11)7-8/h8-9H,2-7H2,1H3/p+1/t8-/m0/s1
InChIKeyGLSXMAHJMNEFHZ-QMMMGPOBSA-O
MW208.30 g/mol
LogP-1.23
Rot. Bonds5

About [(3S)-1,1-dioxothiolan-3-yl]-(3-methoxypropyl)azanium

[(3S)-1,1-dioxothiolan-3-yl]-(3-methoxypropyl)azanium (PubChem CID 7128966) has the molecular formula C8H18NO3S+ and a molecular weight of 208.30 g/mol. Its IUPAC name is [(3S)-1,1-dioxothiolan-3-yl]-(3-methoxypropyl)azanium.

Molecular Properties

Compound Name[(3S)-1,1-dioxothiolan-3-yl]-(3-methoxypropyl)azanium
PubChem CID7128966
Molecular FormulaC8H18NO3S+
Molecular Weight208.30 g/mol
Exact Mass208.10
IUPAC Name[(3S)-1,1-dioxothiolan-3-yl]-(3-methoxypropyl)azanium
SMILESCOCCC[NH2+][C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C8H17NO3S/c1-12-5-2-4-9-8-3-6-13(10,11)7-8/h8-9H,2-7H2,1H3/p+1/t8-/m0/s1
InChIKeyGLSXMAHJMNEFHZ-QMMMGPOBSA-O
XLogP-1.23
TPSA59.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 5-1.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-tert-butylcyclohexyl)-(3-methoxypropyl)azanium
CID 7014294
3-methoxypropyl-(1-methylpiperidin-1-ium-4-yl)azanium
CID 7009442
3-[1-chloro-2-(chloromethyl)-6-methoxyhexan-2-yl]thiolane 1,1-dioxide
CID 113437254
4-(10-methoxydecoxy)thiane 1,1-dioxide
CID 164916307
2-(1,1-dioxothiolan-3-yl)-2-[2-(3-methoxypropoxy)ethyl]propane-1,3-diol
CID 103185078
N-(3-methoxypropyl)-1,1-dioxothiolane-3-sulfonamide
CID 43827633
3-(methoxymethyl)-5-methyl-1,4-thiazepane 1,1-dioxide
CID 107511171
3-[3-(3-methoxypropyl)azetidin-3-yl]thiolane 1,1-dioxide
CID 79451088
1-(1,1-dioxothiolan-3-yl)-3-(3-methoxypropyl)-1-methylthiourea
CID 113218995
N-(2-bromoprop-2-enyl)-N-(3-methoxypropyl)-1,1-dioxothiolan-3-amine
CID 71912012
(3S)-N-(2-bromoprop-2-enyl)-N-(3-methoxypropyl)-1,1-dioxothiolan-3-amine
CID 97062829
2-(1,1-dioxothiolan-3-yl)-6-methoxy-N-methylhexan-1-amine
CID 113437124

Frequently Asked Questions

What is the IUPAC name of [(3S)-1,1-dioxothiolan-3-yl]-(3-methoxypropyl)azanium?
The IUPAC name of [(3S)-1,1-dioxothiolan-3-yl]-(3-methoxypropyl)azanium (CID 7128966) is [(3S)-1,1-dioxothiolan-3-yl]-(3-methoxypropyl)azanium.
What is the SMILES notation for [(3S)-1,1-dioxothiolan-3-yl]-(3-methoxypropyl)azanium?
The canonical SMILES for [(3S)-1,1-dioxothiolan-3-yl]-(3-methoxypropyl)azanium is COCCC[NH2+][C@H]1CCS(=O)(=O)C1.
What is the InChIKey of [(3S)-1,1-dioxothiolan-3-yl]-(3-methoxypropyl)azanium?
The InChIKey is GLSXMAHJMNEFHZ-QMMMGPOBSA-O. The full InChI is InChI=1S/C8H17NO3S/c1-12-5-2-4-9-8-3-6-13(10,11)7-8/h8-9H,2-7H2,1H3/p+1/t8-/m0/s1.
What are the key properties of [(3S)-1,1-dioxothiolan-3-yl]-(3-methoxypropyl)azanium?
[(3S)-1,1-dioxothiolan-3-yl]-(3-methoxypropyl)azanium has a molecular weight of 208.30 g/mol, XLogP of -1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1,1-dioxothiolan-3-yl]-(3-methoxypropyl)azanium is sourced from PubChem (CID 7128966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).