N,N-dimethyl-2-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methylsulfanyl]acetamide

C13H22N2O2S — CID 114235035

IUPACN,N-dimethyl-2-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methylsulfanyl]acetamide
SMILESCC(C)NCc1ccc(CSCC(=O)N(C)C)o1
InChIInChI=1S/C13H22N2O2S/c1-10(2)14-7-11-5-6-12(17-11)8-18-9-13(16)15(3)4/h5-6,10,14H,7-9H2,1-4H3
InChIKeyBTXRMCPSDLKDJX-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.10
Rot. Bonds7

About N,N-dimethyl-2-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methylsulfanyl]acetamide

N,N-dimethyl-2-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methylsulfanyl]acetamide (PubChem CID 114235035) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N,N-dimethyl-2-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methylsulfanyl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methylsulfanyl]acetamide
PubChem CID114235035
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN,N-dimethyl-2-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methylsulfanyl]acetamide
SMILESCC(C)NCc1ccc(CSCC(=O)N(C)C)o1
InChIInChI=1S/C13H22N2O2S/c1-10(2)14-7-11-5-6-12(17-11)8-18-9-13(16)15(3)4/h5-6,10,14H,7-9H2,1-4H3
InChIKeyBTXRMCPSDLKDJX-UHFFFAOYSA-N
XLogP2.10
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,N-dimethyl-2-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methylsulfanyl]acetamide 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

tert-butyl 2-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methylsulfanyl]acetate
CID 116688056
methyl 3-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methylsulfanyl]propanoate
CID 113372530
N-[[5-(3-methylbutylsulfanylmethyl)furan-2-yl]methyl]propan-2-amine
CID 107764107
N,N,N'-trimethyl-N'-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]ethane-1,2-diamine
CID 55226601
N,3-dimethyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-2-amine
CID 62432829
N-[[5-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]furan-2-yl]methyl]propan-2-amine
CID 63210843
2-[[5-(hydrazinecarbonyl)-4-methylfuran-2-yl]methylsulfanyl]-N,N-dimethylacetamide
CID 114234633
N-methyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62417034
N-methyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pentan-1-amine
CID 55074599
N-methyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]cyclopentanamine
CID 62418506
(2R)-N,N-dimethyl-2-[(5-methylfuran-2-yl)methylamino]propanamide
CID 93249413
1-N,1-N,3-trimethyl-2-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]butane-1,2-diamine
CID 54953777

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methylsulfanyl]acetamide?
The IUPAC name of N,N-dimethyl-2-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methylsulfanyl]acetamide (CID 114235035) is N,N-dimethyl-2-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methylsulfanyl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methylsulfanyl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methylsulfanyl]acetamide is CC(C)NCc1ccc(CSCC(=O)N(C)C)o1.
What is the InChIKey of N,N-dimethyl-2-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methylsulfanyl]acetamide?
The InChIKey is BTXRMCPSDLKDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-10(2)14-7-11-5-6-12(17-11)8-18-9-13(16)15(3)4/h5-6,10,14H,7-9H2,1-4H3.
What are the key properties of N,N-dimethyl-2-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methylsulfanyl]acetamide?
N,N-dimethyl-2-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methylsulfanyl]acetamide has a molecular weight of 270.40 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methylsulfanyl]acetamide is sourced from PubChem (CID 114235035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).