4-cyclopentylsulfanyl-N-[1-(furan-2-yl)propan-2-yl]aniline

C18H23NOS — CID 63445560

IUPAC4-cyclopentylsulfanyl-N-[1-(furan-2-yl)propan-2-yl]aniline
SMILESCC(Cc1ccco1)Nc1ccc(SC2CCCC2)cc1
InChIInChI=1S/C18H23NOS/c1-14(13-16-5-4-12-20-16)19-15-8-10-18(11-9-15)21-17-6-2-3-7-17/h4-5,8-12,14,17,19H,2-3,6-7,13H2,1H3
InChIKeyUYMZXPJDPLSIOV-UHFFFAOYSA-N
MW301.46 g/mol
LogP5.36
Rot. Bonds6

About 4-cyclopentylsulfanyl-N-[1-(furan-2-yl)propan-2-yl]aniline

4-cyclopentylsulfanyl-N-[1-(furan-2-yl)propan-2-yl]aniline (PubChem CID 63445560) has the molecular formula C18H23NOS and a molecular weight of 301.46 g/mol. Its IUPAC name is 4-cyclopentylsulfanyl-N-[1-(furan-2-yl)propan-2-yl]aniline.

Molecular Properties

Compound Name4-cyclopentylsulfanyl-N-[1-(furan-2-yl)propan-2-yl]aniline
PubChem CID63445560
Molecular FormulaC18H23NOS
Molecular Weight301.46 g/mol
Exact Mass301.15
IUPAC Name4-cyclopentylsulfanyl-N-[1-(furan-2-yl)propan-2-yl]aniline
SMILESCC(Cc1ccco1)Nc1ccc(SC2CCCC2)cc1
InChIInChI=1S/C18H23NOS/c1-14(13-16-5-4-12-20-16)19-15-8-10-18(11-9-15)21-17-6-2-3-7-17/h4-5,8-12,14,17,19H,2-3,6-7,13H2,1H3
InChIKeyUYMZXPJDPLSIOV-UHFFFAOYSA-N
XLogP5.36
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.46
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-4-cyclopentylsulfanylaniline
CID 43726330
N-[1-(furan-2-yl)propan-2-yl]pyridin-4-amine
CID 61043048
N-[1-(furan-2-yl)propan-2-yl]-4-propan-2-yloxyaniline
CID 63098725
N-(1-cyclopentylethyl)-1-(furan-2-yl)propan-2-amine
CID 62634085
N-[1-(furan-2-yl)propan-2-yl]-3,5-dimethylaniline
CID 63099916
1-(furan-2-yl)-N-[1-(furan-2-yl)propan-2-yl]propan-2-amine
CID 55179966
6-bromo-N-[1-(furan-2-yl)propan-2-yl]naphthalen-2-amine
CID 81260554
N-[1-(furan-2-yl)propan-2-yl]-3,4-dimethoxyaniline
CID 63099420
2-[4-[1-(furan-2-yl)propan-2-ylamino]phenyl]-N,N-dimethylacetamide
CID 63085829
N-[1-(furan-2-yl)propan-2-yl]-2-methylsulfanylaniline
CID 63086307
N-[1-(furan-2-yl)propan-2-yl]-4-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 63084928
6-bromo-N-[1-(furan-2-yl)propan-2-yl]-2,3-dihydro-1,4-benzodioxin-7-amine
CID 63085271

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentylsulfanyl-N-[1-(furan-2-yl)propan-2-yl]aniline?
The IUPAC name of 4-cyclopentylsulfanyl-N-[1-(furan-2-yl)propan-2-yl]aniline (CID 63445560) is 4-cyclopentylsulfanyl-N-[1-(furan-2-yl)propan-2-yl]aniline.
What is the SMILES notation for 4-cyclopentylsulfanyl-N-[1-(furan-2-yl)propan-2-yl]aniline?
The canonical SMILES for 4-cyclopentylsulfanyl-N-[1-(furan-2-yl)propan-2-yl]aniline is CC(Cc1ccco1)Nc1ccc(SC2CCCC2)cc1.
What is the InChIKey of 4-cyclopentylsulfanyl-N-[1-(furan-2-yl)propan-2-yl]aniline?
The InChIKey is UYMZXPJDPLSIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NOS/c1-14(13-16-5-4-12-20-16)19-15-8-10-18(11-9-15)21-17-6-2-3-7-17/h4-5,8-12,14,17,19H,2-3,6-7,13H2,1H3.
What are the key properties of 4-cyclopentylsulfanyl-N-[1-(furan-2-yl)propan-2-yl]aniline?
4-cyclopentylsulfanyl-N-[1-(furan-2-yl)propan-2-yl]aniline has a molecular weight of 301.46 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentylsulfanyl-N-[1-(furan-2-yl)propan-2-yl]aniline is sourced from PubChem (CID 63445560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).