(5R)-5-[(2R)-butan-2-yl]-3-[3-(diethylamino)propyl]-2-sulfanylideneimidazolidin-4-one

C14H27N3OS — CID 3070462

IUPAC(5R)-5-[(2R)-butan-2-yl]-3-[3-(diethylamino)propyl]-2-sulfanylideneimidazolidin-4-one
SMILESCC[C@@H](C)[C@H]1NC(=S)N(CCCN(CC)CC)C1=O
InChIInChI=1S/C14H27N3OS/c1-5-11(4)12-13(18)17(14(19)15-12)10-8-9-16(6-2)7-3/h11-12H,5-10H2,1-4H3,(H,15,19)/t11-,12-/m1/s1
InChIKeyHNAUQBPBJFOYSP-VXGBXAGGSA-N
MW285.46 g/mol
LogP1.85
Rot. Bonds8

About (5R)-5-[(2R)-butan-2-yl]-3-[3-(diethylamino)propyl]-2-sulfanylideneimidazolidin-4-one

(5R)-5-[(2R)-butan-2-yl]-3-[3-(diethylamino)propyl]-2-sulfanylideneimidazolidin-4-one (PubChem CID 3070462) has the molecular formula C14H27N3OS and a molecular weight of 285.46 g/mol. Its IUPAC name is (5R)-5-[(2R)-butan-2-yl]-3-[3-(diethylamino)propyl]-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5R)-5-[(2R)-butan-2-yl]-3-[3-(diethylamino)propyl]-2-sulfanylideneimidazolidin-4-one
PubChem CID3070462
Molecular FormulaC14H27N3OS
Molecular Weight285.46 g/mol
Exact Mass285.19
IUPAC Name(5R)-5-[(2R)-butan-2-yl]-3-[3-(diethylamino)propyl]-2-sulfanylideneimidazolidin-4-one
SMILESCC[C@@H](C)[C@H]1NC(=S)N(CCCN(CC)CC)C1=O
InChIInChI=1S/C14H27N3OS/c1-5-11(4)12-13(18)17(14(19)15-12)10-8-9-16(6-2)7-3/h11-12H,5-10H2,1-4H3,(H,15,19)/t11-,12-/m1/s1
InChIKeyHNAUQBPBJFOYSP-VXGBXAGGSA-N
XLogP1.85
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(2R)-butan-2-yl]-3-[3-(diethylamino)propyl]-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5R)-5-[(2R)-butan-2-yl]-3-[3-(diethylamino)propyl]-2-sulfanylideneimidazolidin-4-one (CID 3070462) is (5R)-5-[(2R)-butan-2-yl]-3-[3-(diethylamino)propyl]-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5R)-5-[(2R)-butan-2-yl]-3-[3-(diethylamino)propyl]-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5R)-5-[(2R)-butan-2-yl]-3-[3-(diethylamino)propyl]-2-sulfanylideneimidazolidin-4-one is CC[C@@H](C)[C@H]1NC(=S)N(CCCN(CC)CC)C1=O.
What is the InChIKey of (5R)-5-[(2R)-butan-2-yl]-3-[3-(diethylamino)propyl]-2-sulfanylideneimidazolidin-4-one?
The InChIKey is HNAUQBPBJFOYSP-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H27N3OS/c1-5-11(4)12-13(18)17(14(19)15-12)10-8-9-16(6-2)7-3/h11-12H,5-10H2,1-4H3,(H,15,19)/t11-,12-/m1/s1.
What are the key properties of (5R)-5-[(2R)-butan-2-yl]-3-[3-(diethylamino)propyl]-2-sulfanylideneimidazolidin-4-one?
(5R)-5-[(2R)-butan-2-yl]-3-[3-(diethylamino)propyl]-2-sulfanylideneimidazolidin-4-one has a molecular weight of 285.46 g/mol, XLogP of 1.85, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(2R)-butan-2-yl]-3-[3-(diethylamino)propyl]-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 3070462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).