2-(3-amino-2-methylpropyl)sulfinyl-N-(furan-2-ylmethyl)propanamide

C12H20N2O3S — CID 81201837

IUPAC2-(3-amino-2-methylpropyl)sulfinyl-N-(furan-2-ylmethyl)propanamide
SMILESCC(CN)CS(=O)C(C)C(=O)NCc1ccco1
InChIInChI=1S/C12H20N2O3S/c1-9(6-13)8-18(16)10(2)12(15)14-7-11-4-3-5-17-11/h3-5,9-10H,6-8,13H2,1-2H3,(H,14,15)
InChIKeySKYKOOYCKJYCIA-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.63
Rot. Bonds7

About 2-(3-amino-2-methylpropyl)sulfinyl-N-(furan-2-ylmethyl)propanamide

2-(3-amino-2-methylpropyl)sulfinyl-N-(furan-2-ylmethyl)propanamide (PubChem CID 81201837) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-(3-amino-2-methylpropyl)sulfinyl-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(3-amino-2-methylpropyl)sulfinyl-N-(furan-2-ylmethyl)propanamide
PubChem CID81201837
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name2-(3-amino-2-methylpropyl)sulfinyl-N-(furan-2-ylmethyl)propanamide
SMILESCC(CN)CS(=O)C(C)C(=O)NCc1ccco1
InChIInChI=1S/C12H20N2O3S/c1-9(6-13)8-18(16)10(2)12(15)14-7-11-4-3-5-17-11/h3-5,9-10H,6-8,13H2,1-2H3,(H,14,15)
InChIKeySKYKOOYCKJYCIA-UHFFFAOYSA-N
XLogP0.63
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(furan-2-ylmethyl)-2-hydroxypropanamide
CID 93242884
2-(3-amino-2-methylphenyl)sulfinyl-N-(furan-2-ylmethyl)propanamide
CID 81193044
2-(2-aminoethylamino)-N-(furan-2-ylmethyl)propanamide
CID 62139964
2-[2-aminoethyl(methyl)amino]-N-(furan-2-ylmethyl)propanamide
CID 61348725
(2S)-N-(furan-2-ylmethyl)-3-methyl-2-(2-methylpropanoylamino)butanamide
CID 110349165
3-amino-N-(furan-2-ylmethyl)butanamide
CID 60835501
2-amino-N-(furan-2-ylmethyl)acetamide
CID 7130773
(2S)-N-(furan-2-ylmethyl)-3-methyl-2-pyrrol-1-ylbutanamide
CID 42426854
N-(furan-2-ylmethyl)acetamide
CID 2394850
1-(furan-2-ylmethyl)-3-propan-2-ylurea
CID 819269
2-bromo-N-(furan-2-ylmethyl)butanamide
CID 25219706
N-(furan-2-ylmethyl)-2-(methoxyamino)propanamide
CID 60702583

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-methylpropyl)sulfinyl-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 2-(3-amino-2-methylpropyl)sulfinyl-N-(furan-2-ylmethyl)propanamide (CID 81201837) is 2-(3-amino-2-methylpropyl)sulfinyl-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-(3-amino-2-methylpropyl)sulfinyl-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 2-(3-amino-2-methylpropyl)sulfinyl-N-(furan-2-ylmethyl)propanamide is CC(CN)CS(=O)C(C)C(=O)NCc1ccco1.
What is the InChIKey of 2-(3-amino-2-methylpropyl)sulfinyl-N-(furan-2-ylmethyl)propanamide?
The InChIKey is SKYKOOYCKJYCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-9(6-13)8-18(16)10(2)12(15)14-7-11-4-3-5-17-11/h3-5,9-10H,6-8,13H2,1-2H3,(H,14,15).
What are the key properties of 2-(3-amino-2-methylpropyl)sulfinyl-N-(furan-2-ylmethyl)propanamide?
2-(3-amino-2-methylpropyl)sulfinyl-N-(furan-2-ylmethyl)propanamide has a molecular weight of 272.37 g/mol, XLogP of 0.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-methylpropyl)sulfinyl-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 81201837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).