3-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-2-pyrrolidin-1-ylbutan-1-amine

C16H28N2OS — CID 43771633

IUPAC3-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-2-pyrrolidin-1-ylbutan-1-amine
SMILESCSCc1ccc(CNCC(C(C)C)N2CCCC2)o1
InChIInChI=1S/C16H28N2OS/c1-13(2)16(18-8-4-5-9-18)11-17-10-14-6-7-15(19-14)12-20-3/h6-7,13,16-17H,4-5,8-12H2,1-3H3
InChIKeyVAPZNZXIQRRISH-UHFFFAOYSA-N
MW296.48 g/mol
LogP3.35
Rot. Bonds8

About 3-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-2-pyrrolidin-1-ylbutan-1-amine

3-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-2-pyrrolidin-1-ylbutan-1-amine (PubChem CID 43771633) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is 3-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-2-pyrrolidin-1-ylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-2-pyrrolidin-1-ylbutan-1-amine
PubChem CID43771633
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC Name3-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-2-pyrrolidin-1-ylbutan-1-amine
SMILESCSCc1ccc(CNCC(C(C)C)N2CCCC2)o1
InChIInChI=1S/C16H28N2OS/c1-13(2)16(18-8-4-5-9-18)11-17-10-14-6-7-15(19-14)12-20-3/h6-7,13,16-17H,4-5,8-12H2,1-3H3
InChIKeyVAPZNZXIQRRISH-UHFFFAOYSA-N
XLogP3.35
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[(5-nitrofuran-2-yl)methyl]-2-pyrrolidin-1-ylbutan-1-amine
CID 43771607
2-ethoxy-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]propan-1-amine
CID 115655562
2-hydroxy-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]propanamide
CID 106170960
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 60957475
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 54883565
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 43804204
N-[(2,3-dichlorophenyl)methyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 43111449
2,2-dimethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]propan-1-amine
CID 61166436
N-ethyl-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 43207839
N-[(3-bromothiophen-2-yl)methyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 115379843
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]methanamine
CID 61011504
N-[(3-chlorophenyl)methyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 43100371

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-2-pyrrolidin-1-ylbutan-1-amine?
The IUPAC name of 3-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-2-pyrrolidin-1-ylbutan-1-amine (CID 43771633) is 3-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-2-pyrrolidin-1-ylbutan-1-amine.
What is the SMILES notation for 3-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-2-pyrrolidin-1-ylbutan-1-amine?
The canonical SMILES for 3-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-2-pyrrolidin-1-ylbutan-1-amine is CSCc1ccc(CNCC(C(C)C)N2CCCC2)o1.
What is the InChIKey of 3-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-2-pyrrolidin-1-ylbutan-1-amine?
The InChIKey is VAPZNZXIQRRISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS/c1-13(2)16(18-8-4-5-9-18)11-17-10-14-6-7-15(19-14)12-20-3/h6-7,13,16-17H,4-5,8-12H2,1-3H3.
What are the key properties of 3-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-2-pyrrolidin-1-ylbutan-1-amine?
3-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-2-pyrrolidin-1-ylbutan-1-amine has a molecular weight of 296.48 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-2-pyrrolidin-1-ylbutan-1-amine is sourced from PubChem (CID 43771633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).