N-tert-butyl-2-[(4-hydroxy-6-oxo-1,3-diazinan-2-yl)sulfanyl]acetamide

C10H19N3O3S — CID 75678595

IUPACN-tert-butyl-2-[(4-hydroxy-6-oxo-1,3-diazinan-2-yl)sulfanyl]acetamide
SMILESCC(C)(C)NC(=O)CSC1NC(=O)CC(O)N1
InChIInChI=1S/C10H19N3O3S/c1-10(2,3)13-8(16)5-17-9-11-6(14)4-7(15)12-9/h6,9,11,14H,4-5H2,1-3H3,(H,12,15)(H,13,16)
InChIKeyWDNUOKMTDVHHGU-UHFFFAOYSA-N
MW261.35 g/mol
LogP-0.65
Rot. Bonds3

About N-tert-butyl-2-[(4-hydroxy-6-oxo-1,3-diazinan-2-yl)sulfanyl]acetamide

N-tert-butyl-2-[(4-hydroxy-6-oxo-1,3-diazinan-2-yl)sulfanyl]acetamide (PubChem CID 75678595) has the molecular formula C10H19N3O3S and a molecular weight of 261.35 g/mol. Its IUPAC name is N-tert-butyl-2-[(4-hydroxy-6-oxo-1,3-diazinan-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(4-hydroxy-6-oxo-1,3-diazinan-2-yl)sulfanyl]acetamide
PubChem CID75678595
Molecular FormulaC10H19N3O3S
Molecular Weight261.35 g/mol
Exact Mass261.11
IUPAC NameN-tert-butyl-2-[(4-hydroxy-6-oxo-1,3-diazinan-2-yl)sulfanyl]acetamide
SMILESCC(C)(C)NC(=O)CSC1NC(=O)CC(O)N1
InChIInChI=1S/C10H19N3O3S/c1-10(2,3)13-8(16)5-17-9-11-6(14)4-7(15)12-9/h6,9,11,14H,4-5H2,1-3H3,(H,12,15)(H,13,16)
InChIKeyWDNUOKMTDVHHGU-UHFFFAOYSA-N
XLogP-0.65
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 5-0.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(4-hydroxy-6-oxo-1,3-diazinan-2-yl)sulfanyl]acetamide?
The IUPAC name of N-tert-butyl-2-[(4-hydroxy-6-oxo-1,3-diazinan-2-yl)sulfanyl]acetamide (CID 75678595) is N-tert-butyl-2-[(4-hydroxy-6-oxo-1,3-diazinan-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(4-hydroxy-6-oxo-1,3-diazinan-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-tert-butyl-2-[(4-hydroxy-6-oxo-1,3-diazinan-2-yl)sulfanyl]acetamide is CC(C)(C)NC(=O)CSC1NC(=O)CC(O)N1.
What is the InChIKey of N-tert-butyl-2-[(4-hydroxy-6-oxo-1,3-diazinan-2-yl)sulfanyl]acetamide?
The InChIKey is WDNUOKMTDVHHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3S/c1-10(2,3)13-8(16)5-17-9-11-6(14)4-7(15)12-9/h6,9,11,14H,4-5H2,1-3H3,(H,12,15)(H,13,16).
What are the key properties of N-tert-butyl-2-[(4-hydroxy-6-oxo-1,3-diazinan-2-yl)sulfanyl]acetamide?
N-tert-butyl-2-[(4-hydroxy-6-oxo-1,3-diazinan-2-yl)sulfanyl]acetamide has a molecular weight of 261.35 g/mol, XLogP of -0.65, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(4-hydroxy-6-oxo-1,3-diazinan-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 75678595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).