N-(furan-2-ylmethyl)-2-(2-methylfuran-3-yl)sulfanylpropan-1-amine

C13H17NO2S — CID 107782540

IUPACN-(furan-2-ylmethyl)-2-(2-methylfuran-3-yl)sulfanylpropan-1-amine
SMILESCc1occc1SC(C)CNCc1ccco1
InChIInChI=1S/C13H17NO2S/c1-10(17-13-5-7-15-11(13)2)8-14-9-12-4-3-6-16-12/h3-7,10,14H,8-9H2,1-2H3
InChIKeyPWRZCCTVNDWQSW-UHFFFAOYSA-N
MW251.35 g/mol
LogP3.45
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-(2-methylfuran-3-yl)sulfanylpropan-1-amine

N-(furan-2-ylmethyl)-2-(2-methylfuran-3-yl)sulfanylpropan-1-amine (PubChem CID 107782540) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(2-methylfuran-3-yl)sulfanylpropan-1-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(2-methylfuran-3-yl)sulfanylpropan-1-amine
PubChem CID107782540
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC NameN-(furan-2-ylmethyl)-2-(2-methylfuran-3-yl)sulfanylpropan-1-amine
SMILESCc1occc1SC(C)CNCc1ccco1
InChIInChI=1S/C13H17NO2S/c1-10(17-13-5-7-15-11(13)2)8-14-9-12-4-3-6-16-12/h3-7,10,14H,8-9H2,1-2H3
InChIKeyPWRZCCTVNDWQSW-UHFFFAOYSA-N
XLogP3.45
TPSA38.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(furan-2-ylmethyl)-2-(2-methylfuran-3-yl)sulfanylpropan-1-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

2-(2,5-dimethylphenyl)sulfanyl-N-(furan-2-ylmethyl)propan-1-amine
CID 62584859
2-(2,4-dimethylphenyl)sulfanyl-N-(furan-2-ylmethyl)propan-1-amine
CID 62583352
N-(furan-2-ylmethyl)-2-(1,3-oxazol-2-ylsulfanyl)propan-1-amine
CID 106925818
3-methyl-N-[2-(2-methylfuran-3-yl)sulfanylpropyl]butan-1-amine
CID 107782618
2-(2-methylfuran-3-yl)sulfanyl-N-prop-2-ynylpropan-1-amine
CID 107782610
N-(furan-2-ylmethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine
CID 62579170
2-(3,4-difluorophenyl)sulfanyl-N-(furan-2-ylmethyl)propan-1-amine
CID 62576351
2-cyclopentylsulfanyl-N-(furan-2-ylmethyl)propan-1-amine
CID 63115985
N-(furan-2-ylmethyl)-2-methylbutan-1-amine
CID 43200420
1-N-(furan-2-ylmethyl)-4-methylpentane-1,2-diamine
CID 61150201
N-(furan-2-ylmethyl)-2-(4-methylphenoxy)propan-1-amine
CID 46736230
N-(furan-2-ylmethyl)-2-(2-methylpropoxy)propan-1-amine
CID 62567476

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(2-methylfuran-3-yl)sulfanylpropan-1-amine?
The IUPAC name of N-(furan-2-ylmethyl)-2-(2-methylfuran-3-yl)sulfanylpropan-1-amine (CID 107782540) is N-(furan-2-ylmethyl)-2-(2-methylfuran-3-yl)sulfanylpropan-1-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(2-methylfuran-3-yl)sulfanylpropan-1-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(2-methylfuran-3-yl)sulfanylpropan-1-amine is Cc1occc1SC(C)CNCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(2-methylfuran-3-yl)sulfanylpropan-1-amine?
The InChIKey is PWRZCCTVNDWQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2S/c1-10(17-13-5-7-15-11(13)2)8-14-9-12-4-3-6-16-12/h3-7,10,14H,8-9H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-2-(2-methylfuran-3-yl)sulfanylpropan-1-amine?
N-(furan-2-ylmethyl)-2-(2-methylfuran-3-yl)sulfanylpropan-1-amine has a molecular weight of 251.35 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(2-methylfuran-3-yl)sulfanylpropan-1-amine is sourced from PubChem (CID 107782540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).