3-(2-methylfuran-3-yl)sulfanyl-2-(propan-2-ylamino)propanamide

C11H18N2O2S — CID 107782021

IUPAC3-(2-methylfuran-3-yl)sulfanyl-2-(propan-2-ylamino)propanamide
SMILESCc1occc1SCC(NC(C)C)C(N)=O
InChIInChI=1S/C11H18N2O2S/c1-7(2)13-9(11(12)14)6-16-10-4-5-15-8(10)3/h4-5,7,9,13H,6H2,1-3H3,(H2,12,14)
InChIKeyBNGRCRQSMLWDLF-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.53
Rot. Bonds6

About 3-(2-methylfuran-3-yl)sulfanyl-2-(propan-2-ylamino)propanamide

3-(2-methylfuran-3-yl)sulfanyl-2-(propan-2-ylamino)propanamide (PubChem CID 107782021) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 3-(2-methylfuran-3-yl)sulfanyl-2-(propan-2-ylamino)propanamide.

Molecular Properties

Compound Name3-(2-methylfuran-3-yl)sulfanyl-2-(propan-2-ylamino)propanamide
PubChem CID107782021
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name3-(2-methylfuran-3-yl)sulfanyl-2-(propan-2-ylamino)propanamide
SMILESCc1occc1SCC(NC(C)C)C(N)=O
InChIInChI=1S/C11H18N2O2S/c1-7(2)13-9(11(12)14)6-16-10-4-5-15-8(10)3/h4-5,7,9,13H,6H2,1-3H3,(H2,12,14)
InChIKeyBNGRCRQSMLWDLF-UHFFFAOYSA-N
XLogP1.53
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-(2-methylfuran-3-yl)sulfanylpropanoic acid
CID 107779054
ethyl 2-methyl-3-(2-methylfuran-3-yl)sulfanylpropanoate
CID 107779061
2-methyl-3-(2-methylfuran-3-yl)sulfanylpropanimidamide
CID 107780463
3-(2-methylfuran-3-yl)sulfanylpropane-1,2-diol
CID 104922695
2-methyl-3-(2-methylbutylsulfanyl)furan
CID 91705262
1-cyclopropyl-2-(2-methylfuran-3-yl)sulfanylethanamine
CID 107784256
N-ethyl-3-methyl-1-(2-methylfuran-3-yl)sulfanylbutan-2-amine
CID 107784089
1-(2-methylfuran-3-yl)sulfanyl-N-propylpropan-2-amine
CID 107784170
2-(ethylamino)-3-(2-methylfuran-3-yl)sulfanylpropan-1-ol
CID 107784672
4-(furan-2-ylmethylsulfanyl)-2-(propan-2-ylamino)butanamide
CID 63034282
1-(2-methylfuran-3-yl)sulfanyl-3-phenylpropan-2-one
CID 107781253
2,2-dimethyl-3-(2-methylfuran-3-yl)sulfanylpropanoic acid
CID 107779028

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylfuran-3-yl)sulfanyl-2-(propan-2-ylamino)propanamide?
The IUPAC name of 3-(2-methylfuran-3-yl)sulfanyl-2-(propan-2-ylamino)propanamide (CID 107782021) is 3-(2-methylfuran-3-yl)sulfanyl-2-(propan-2-ylamino)propanamide.
What is the SMILES notation for 3-(2-methylfuran-3-yl)sulfanyl-2-(propan-2-ylamino)propanamide?
The canonical SMILES for 3-(2-methylfuran-3-yl)sulfanyl-2-(propan-2-ylamino)propanamide is Cc1occc1SCC(NC(C)C)C(N)=O.
What is the InChIKey of 3-(2-methylfuran-3-yl)sulfanyl-2-(propan-2-ylamino)propanamide?
The InChIKey is BNGRCRQSMLWDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-7(2)13-9(11(12)14)6-16-10-4-5-15-8(10)3/h4-5,7,9,13H,6H2,1-3H3,(H2,12,14).
What are the key properties of 3-(2-methylfuran-3-yl)sulfanyl-2-(propan-2-ylamino)propanamide?
3-(2-methylfuran-3-yl)sulfanyl-2-(propan-2-ylamino)propanamide has a molecular weight of 242.34 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylfuran-3-yl)sulfanyl-2-(propan-2-ylamino)propanamide is sourced from PubChem (CID 107782021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).