(5-methylfuran-2-yl)-[(3R)-3-(phenylsulfanylmethyl)pyrrolidin-1-yl]methanone

C17H19NO2S — CID 97318596

IUPAC(5-methylfuran-2-yl)-[(3R)-3-(phenylsulfanylmethyl)pyrrolidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CC[C@@H](CSc3ccccc3)C2)o1
InChIInChI=1S/C17H19NO2S/c1-13-7-8-16(20-13)17(19)18-10-9-14(11-18)12-21-15-5-3-2-4-6-15/h2-8,14H,9-12H2,1H3/t14-/m1/s1
InChIKeyRVWXTDCUYLINNX-CQSZACIVSA-N
MW301.41 g/mol
LogP3.84
Rot. Bonds4

About (5-methylfuran-2-yl)-[(3R)-3-(phenylsulfanylmethyl)pyrrolidin-1-yl]methanone

(5-methylfuran-2-yl)-[(3R)-3-(phenylsulfanylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 97318596) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is (5-methylfuran-2-yl)-[(3R)-3-(phenylsulfanylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methylfuran-2-yl)-[(3R)-3-(phenylsulfanylmethyl)pyrrolidin-1-yl]methanone
PubChem CID97318596
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name(5-methylfuran-2-yl)-[(3R)-3-(phenylsulfanylmethyl)pyrrolidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CC[C@@H](CSc3ccccc3)C2)o1
InChIInChI=1S/C17H19NO2S/c1-13-7-8-16(20-13)17(19)18-10-9-14(11-18)12-21-15-5-3-2-4-6-15/h2-8,14H,9-12H2,1H3/t14-/m1/s1
InChIKeyRVWXTDCUYLINNX-CQSZACIVSA-N
XLogP3.84
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2-chloroethyl)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone
CID 114801301
[(3R)-3-(phenylsulfanylmethyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 96568451
5-[3-(phenylsulfanylmethyl)pyrrolidine-1-carbonyl]pyrazine-2-carboxylic acid
CID 120685819
2-[1-(5-methylfuran-2-carbonyl)piperidin-3-yl]acetic acid
CID 62689560
(3S)-N-cyclopropyl-3-(phenylsulfanylmethyl)pyrrolidine-1-carboxamide
CID 96566331
(2R)-2-methylsulfanyl-1-[(3R)-3-(phenylsulfanylmethyl)pyrrolidin-1-yl]propan-1-one
CID 96568475
2-[1-(5-methylfuran-2-carbonyl)azetidin-3-yl]acetic acid
CID 64605801
2-amino-2-phenyl-1-[3-(phenylsulfanylmethyl)pyrrolidin-1-yl]propan-1-one
CID 120593719
5-[3-(phenylsulfanylmethyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119139486
2-amino-2-(4-methylphenyl)-1-[3-(phenylsulfanylmethyl)pyrrolidin-1-yl]ethanone
CID 120668987
1-[3-(phenylsulfanylmethyl)piperidin-1-yl]ethanone
CID 110672438
ethyl 4-(phenylsulfanylmethyl)piperidine-1-carboxylate
CID 110672480

Frequently Asked Questions

What is the IUPAC name of (5-methylfuran-2-yl)-[(3R)-3-(phenylsulfanylmethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (5-methylfuran-2-yl)-[(3R)-3-(phenylsulfanylmethyl)pyrrolidin-1-yl]methanone (CID 97318596) is (5-methylfuran-2-yl)-[(3R)-3-(phenylsulfanylmethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-methylfuran-2-yl)-[(3R)-3-(phenylsulfanylmethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-methylfuran-2-yl)-[(3R)-3-(phenylsulfanylmethyl)pyrrolidin-1-yl]methanone is Cc1ccc(C(=O)N2CC[C@@H](CSc3ccccc3)C2)o1.
What is the InChIKey of (5-methylfuran-2-yl)-[(3R)-3-(phenylsulfanylmethyl)pyrrolidin-1-yl]methanone?
The InChIKey is RVWXTDCUYLINNX-CQSZACIVSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-13-7-8-16(20-13)17(19)18-10-9-14(11-18)12-21-15-5-3-2-4-6-15/h2-8,14H,9-12H2,1H3/t14-/m1/s1.
What are the key properties of (5-methylfuran-2-yl)-[(3R)-3-(phenylsulfanylmethyl)pyrrolidin-1-yl]methanone?
(5-methylfuran-2-yl)-[(3R)-3-(phenylsulfanylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 301.41 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylfuran-2-yl)-[(3R)-3-(phenylsulfanylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 97318596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).