2-[(4-amino-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide

C11H16N4O3S — CID 44510689

IUPAC2-[(4-amino-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
SMILESNC1CC(=O)NC(SCC(=O)NCc2ccco2)N1
InChIInChI=1S/C11H16N4O3S/c12-8-4-9(16)15-11(14-8)19-6-10(17)13-5-7-2-1-3-18-7/h1-3,8,11,14H,4-6,12H2,(H,13,17)(H,15,16)
InChIKeyCTYVAYWNXFHHCG-UHFFFAOYSA-N
MW284.34 g/mol
LogP-0.69
Rot. Bonds5

About 2-[(4-amino-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide

2-[(4-amino-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 44510689) has the molecular formula C11H16N4O3S and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-[(4-amino-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(4-amino-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
PubChem CID44510689
Molecular FormulaC11H16N4O3S
Molecular Weight284.34 g/mol
Exact Mass284.09
IUPAC Name2-[(4-amino-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
SMILESNC1CC(=O)NC(SCC(=O)NCc2ccco2)N1
InChIInChI=1S/C11H16N4O3S/c12-8-4-9(16)15-11(14-8)19-6-10(17)13-5-7-2-1-3-18-7/h1-3,8,11,14H,4-6,12H2,(H,13,17)(H,15,16)
InChIKeyCTYVAYWNXFHHCG-UHFFFAOYSA-N
XLogP-0.69
TPSA109.39 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 5-0.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-(azetidin-3-yl)-N-(furan-2-ylmethyl)acetamide
CID 64616126
2-(azetidin-3-ylmethylsulfanyl)-N-(furan-2-ylmethyl)acetamide
CID 66288226
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(furan-2-ylmethyl)acetamide
CID 79607925
2-[4-(cyclopropanecarbonyl)phenyl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 94779967
2-amino-N-(furan-2-ylmethyl)acetamide
CID 7130773
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 115301905
2-[[4,6-bis[[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl]-1,3,5-triazin-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 3116887
N-[(4-methoxyphenyl)methyl]-2-[(4-methyl-6-oxo-1,3-diazinan-2-yl)sulfanyl]acetamide
CID 78365672
2-(3,4-dihydroxypyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 106672810
2-(2,5-dioxopyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 17034773
N-(furan-2-ylmethyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
CID 31182177
[2-(furan-2-ylmethylamino)-2-oxoethyl] carbamimidothioate
CID 60641878

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[(4-amino-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide (CID 44510689) is 2-[(4-amino-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(4-amino-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(4-amino-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide is NC1CC(=O)NC(SCC(=O)NCc2ccco2)N1.
What is the InChIKey of 2-[(4-amino-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is CTYVAYWNXFHHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3S/c12-8-4-9(16)15-11(14-8)19-6-10(17)13-5-7-2-1-3-18-7/h1-3,8,11,14H,4-6,12H2,(H,13,17)(H,15,16).
What are the key properties of 2-[(4-amino-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide?
2-[(4-amino-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 284.34 g/mol, XLogP of -0.69, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 44510689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).