2-(1,1-dioxothiolan-3-yl)-3-(furan-2-yl)propan-1-amine

C11H17NO3S — CID 62998485

IUPAC2-(1,1-dioxothiolan-3-yl)-3-(furan-2-yl)propan-1-amine
SMILESNCC(Cc1ccco1)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H17NO3S/c12-7-10(6-11-2-1-4-15-11)9-3-5-16(13,14)8-9/h1-2,4,9-10H,3,5-8,12H2
InChIKeyFEKUKHNYXRLCRL-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.83
Rot. Bonds4

About 2-(1,1-dioxothiolan-3-yl)-3-(furan-2-yl)propan-1-amine

2-(1,1-dioxothiolan-3-yl)-3-(furan-2-yl)propan-1-amine (PubChem CID 62998485) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-3-(furan-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-3-(furan-2-yl)propan-1-amine
PubChem CID62998485
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name2-(1,1-dioxothiolan-3-yl)-3-(furan-2-yl)propan-1-amine
SMILESNCC(Cc1ccco1)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H17NO3S/c12-7-10(6-11-2-1-4-15-11)9-3-5-16(13,14)8-9/h1-2,4,9-10H,3,5-8,12H2
InChIKeyFEKUKHNYXRLCRL-UHFFFAOYSA-N
XLogP0.83
TPSA73.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(furan-2-yl)propan-1-amine
CID 62999776
N-[1-(1,1-dioxothiolan-3-yl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 83182675
3-(5-bromothiophen-2-yl)-2-(1,1-dioxothiolan-3-yl)propan-1-amine
CID 62504988
3-(5-chlorothiophen-2-yl)-2-(1,1-dioxothiolan-3-yl)propan-1-amine
CID 55083701
[(1,1-dioxothiolan-3-yl)-(furan-2-yl)methyl]hydrazine
CID 105258764
3-(2-chlorophenoxy)-2-(1,1-dioxothiolan-3-yl)propan-1-amine
CID 117237746
2-(1,1-dioxothiolan-3-yl)-3-methoxypropan-1-amine
CID 103984175
4-[3-amino-2-(1,1-dioxothiolan-3-yl)propoxy]phenol
CID 117237935
N-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)formamide
CID 99976891
(3R)-N-(furan-2-ylmethyl)-N-methyl-1,1-dioxothiolane-3-sulfonamide
CID 7540591
(3S)-N-(furan-2-ylmethyl)-N-methyl-1,1-dioxothiolane-3-sulfonamide
CID 7540593
1-[(3S)-1,1-dioxothiolan-3-yl]-3-[(2R)-1-(furan-2-yl)propan-2-yl]-1-methylurea
CID 95134554

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)-3-(furan-2-yl)propan-1-amine?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-3-(furan-2-yl)propan-1-amine (CID 62998485) is 2-(1,1-dioxothiolan-3-yl)-3-(furan-2-yl)propan-1-amine.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-3-(furan-2-yl)propan-1-amine?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-3-(furan-2-yl)propan-1-amine is NCC(Cc1ccco1)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-3-(furan-2-yl)propan-1-amine?
The InChIKey is FEKUKHNYXRLCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c12-7-10(6-11-2-1-4-15-11)9-3-5-16(13,14)8-9/h1-2,4,9-10H,3,5-8,12H2.
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-3-(furan-2-yl)propan-1-amine?
2-(1,1-dioxothiolan-3-yl)-3-(furan-2-yl)propan-1-amine has a molecular weight of 243.33 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)-3-(furan-2-yl)propan-1-amine is sourced from PubChem (CID 62998485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).