N-[1-(furan-2-yl)propyl]-3-methyl-1,1-dioxothiolan-3-amine

C12H19NO3S — CID 55097821

IUPACN-[1-(furan-2-yl)propyl]-3-methyl-1,1-dioxothiolan-3-amine
SMILESCCC(NC1(C)CCS(=O)(=O)C1)c1ccco1
InChIInChI=1S/C12H19NO3S/c1-3-10(11-5-4-7-16-11)13-12(2)6-8-17(14,15)9-12/h4-5,7,10,13H,3,6,8-9H2,1-2H3
InChIKeyOIXUZJPHUVAYRJ-UHFFFAOYSA-N
MW257.35 g/mol
LogP1.90
Rot. Bonds4

About N-[1-(furan-2-yl)propyl]-3-methyl-1,1-dioxothiolan-3-amine

N-[1-(furan-2-yl)propyl]-3-methyl-1,1-dioxothiolan-3-amine (PubChem CID 55097821) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is N-[1-(furan-2-yl)propyl]-3-methyl-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-[1-(furan-2-yl)propyl]-3-methyl-1,1-dioxothiolan-3-amine
PubChem CID55097821
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC NameN-[1-(furan-2-yl)propyl]-3-methyl-1,1-dioxothiolan-3-amine
SMILESCCC(NC1(C)CCS(=O)(=O)C1)c1ccco1
InChIInChI=1S/C12H19NO3S/c1-3-10(11-5-4-7-16-11)13-12(2)6-8-17(14,15)9-12/h4-5,7,10,13H,3,6,8-9H2,1-2H3
InChIKeyOIXUZJPHUVAYRJ-UHFFFAOYSA-N
XLogP1.90
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(furan-2-yl)propyl]-3-methyl-1,1-dioxothiolan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-(furan-2-yl)-N-(3-methyl-1,1-dioxothiolan-3-yl)prop-2-enamide
CID 18155683
N-[1-(5-ethylthiophen-2-yl)ethyl]-3-methyl-1,1-dioxothiolan-3-amine
CID 61333762
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(furan-2-yl)propan-1-amine
CID 107163253
1-[[1-(furan-2-yl)propylamino]methyl]cyclohexan-1-ol
CID 65107011
1-[[1-(furan-2-yl)propylamino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 65115344
3-methyl-N-[1-(3-methylphenyl)ethyl]-1,1-dioxothiolan-3-amine
CID 43780150
1-N,2-N-bis[(3S)-3-methyl-1,1-dioxothiolan-3-yl]benzene-1,2-dicarboxamide
CID 2362502
2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 40776538
1-(furan-2-yl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-1-amine
CID 81403040
N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]furan-3-carboxamide
CID 30583271
5-[1-[(3-methyl-1,1-dioxothiolan-3-yl)amino]ethyl]benzene-1,3-diol
CID 107705503
1-ethyl-3-(3-methyl-1,1-dioxothiolan-3-yl)-1-phenylthiourea
CID 3717067

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)propyl]-3-methyl-1,1-dioxothiolan-3-amine?
The IUPAC name of N-[1-(furan-2-yl)propyl]-3-methyl-1,1-dioxothiolan-3-amine (CID 55097821) is N-[1-(furan-2-yl)propyl]-3-methyl-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-[1-(furan-2-yl)propyl]-3-methyl-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-[1-(furan-2-yl)propyl]-3-methyl-1,1-dioxothiolan-3-amine is CCC(NC1(C)CCS(=O)(=O)C1)c1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)propyl]-3-methyl-1,1-dioxothiolan-3-amine?
The InChIKey is OIXUZJPHUVAYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-3-10(11-5-4-7-16-11)13-12(2)6-8-17(14,15)9-12/h4-5,7,10,13H,3,6,8-9H2,1-2H3.
What are the key properties of N-[1-(furan-2-yl)propyl]-3-methyl-1,1-dioxothiolan-3-amine?
N-[1-(furan-2-yl)propyl]-3-methyl-1,1-dioxothiolan-3-amine has a molecular weight of 257.35 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)propyl]-3-methyl-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 55097821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).