N-[2-(2-ethylhexoxy)ethyl]-1,1-dioxothiolan-3-amine

C14H29NO3S — CID 55092912

IUPACN-[2-(2-ethylhexoxy)ethyl]-1,1-dioxothiolan-3-amine
SMILESCCCCC(CC)COCCNC1CCS(=O)(=O)C1
InChIInChI=1S/C14H29NO3S/c1-3-5-6-13(4-2)11-18-9-8-15-14-7-10-19(16,17)12-14/h13-15H,3-12H2,1-2H3
InChIKeyWXOISKYQWXCVGX-UHFFFAOYSA-N
MW291.46 g/mol
LogP2.00
Rot. Bonds10

About N-[2-(2-ethylhexoxy)ethyl]-1,1-dioxothiolan-3-amine

N-[2-(2-ethylhexoxy)ethyl]-1,1-dioxothiolan-3-amine (PubChem CID 55092912) has the molecular formula C14H29NO3S and a molecular weight of 291.46 g/mol. Its IUPAC name is N-[2-(2-ethylhexoxy)ethyl]-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-[2-(2-ethylhexoxy)ethyl]-1,1-dioxothiolan-3-amine
PubChem CID55092912
Molecular FormulaC14H29NO3S
Molecular Weight291.46 g/mol
Exact Mass291.19
IUPAC NameN-[2-(2-ethylhexoxy)ethyl]-1,1-dioxothiolan-3-amine
SMILESCCCCC(CC)COCCNC1CCS(=O)(=O)C1
InChIInChI=1S/C14H29NO3S/c1-3-5-6-13(4-2)11-18-9-8-15-14-7-10-19(16,17)12-14/h13-15H,3-12H2,1-2H3
InChIKeyWXOISKYQWXCVGX-UHFFFAOYSA-N
XLogP2.00
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 52.00
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

N-[5-(2-ethylhexoxy)pentyl]cyclopropanamine
CID 62457946
(3S)-3-[(2R)-2-ethylhexoxy]thiolane 1,1-dioxide
CID 51410709
2-[(2S)-2-ethylhexoxy]-N-[2-[(2R)-2-ethylhexoxy]ethyl]ethanamine
CID 27255212
2-[2-[(1,1-dioxothiolan-3-yl)amino]ethoxy]acetamide
CID 106236546
1,1-dioxo-N-(2-prop-2-enoxyethyl)thiolan-3-amine
CID 62572213
N-[2-(2,2-difluoroethoxy)ethyl]-1,1-dioxothian-3-amine
CID 103082697
1-(2-butoxyethoxy)-3-[(1,1-dioxothian-3-yl)amino]propan-2-ol
CID 63922339
N-(5-methylhexyl)-1,1-dioxothiolan-3-amine
CID 115325005
N-hexan-2-yl-1,1-dioxothiolan-3-amine
CID 43757079
N-(1,1-dioxothiolan-3-yl)-N'-ethyl-N'-(2-ethylbutyl)ethane-1,2-diamine
CID 62554082
2-ethoxy-N-[2-(2-ethylhexoxy)ethyl]ethanamine
CID 62597434
ethyl 2-(cyclopropylamino)-4-(2-ethylhexoxy)butanoate
CID 63039838

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylhexoxy)ethyl]-1,1-dioxothiolan-3-amine?
The IUPAC name of N-[2-(2-ethylhexoxy)ethyl]-1,1-dioxothiolan-3-amine (CID 55092912) is N-[2-(2-ethylhexoxy)ethyl]-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-[2-(2-ethylhexoxy)ethyl]-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-[2-(2-ethylhexoxy)ethyl]-1,1-dioxothiolan-3-amine is CCCCC(CC)COCCNC1CCS(=O)(=O)C1.
What is the InChIKey of N-[2-(2-ethylhexoxy)ethyl]-1,1-dioxothiolan-3-amine?
The InChIKey is WXOISKYQWXCVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3S/c1-3-5-6-13(4-2)11-18-9-8-15-14-7-10-19(16,17)12-14/h13-15H,3-12H2,1-2H3.
What are the key properties of N-[2-(2-ethylhexoxy)ethyl]-1,1-dioxothiolan-3-amine?
N-[2-(2-ethylhexoxy)ethyl]-1,1-dioxothiolan-3-amine has a molecular weight of 291.46 g/mol, XLogP of 2.00, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylhexoxy)ethyl]-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 55092912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).