(3R)-N-[[[(3R)-1,1-dioxothiolan-3-yl]amino]-[[(3S)-1,1-dioxothiolan-3-yl]amino]phosphoryl]-1,1-dioxothiolan-3-amine

C12H24N3O7PS3 — CID 98143335

IUPAC(3R)-N-[[[(3R)-1,1-dioxothiolan-3-yl]amino]-[[(3S)-1,1-dioxothiolan-3-yl]amino]phosphoryl]-1,1-dioxothiolan-3-amine
SMILESO=P(N[C@@H]1CCS(=O)(=O)C1)(N[C@@H]1CCS(=O)(=O)C1)N[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C12H24N3O7PS3/c16-23(13-10-1-4-24(17,18)7-10,14-11-2-5-25(19,20)8-11)15-12-3-6-26(21,22)9-12/h10-12H,1-9H2,(H3,13,14,15,16)/t10-,11-,12+/m1/s1
InChIKeySCONGPBLURWJQC-UTUOFQBUSA-N
MW449.51 g/mol
LogP-1.58
Rot. Bonds6

About (3R)-N-[[[(3R)-1,1-dioxothiolan-3-yl]amino]-[[(3S)-1,1-dioxothiolan-3-yl]amino]phosphoryl]-1,1-dioxothiolan-3-amine

(3R)-N-[[[(3R)-1,1-dioxothiolan-3-yl]amino]-[[(3S)-1,1-dioxothiolan-3-yl]amino]phosphoryl]-1,1-dioxothiolan-3-amine (PubChem CID 98143335) has the molecular formula C12H24N3O7PS3 and a molecular weight of 449.51 g/mol. Its IUPAC name is (3R)-N-[[[(3R)-1,1-dioxothiolan-3-yl]amino]-[[(3S)-1,1-dioxothiolan-3-yl]amino]phosphoryl]-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound Name(3R)-N-[[[(3R)-1,1-dioxothiolan-3-yl]amino]-[[(3S)-1,1-dioxothiolan-3-yl]amino]phosphoryl]-1,1-dioxothiolan-3-amine
PubChem CID98143335
Molecular FormulaC12H24N3O7PS3
Molecular Weight449.51 g/mol
Exact Mass449.05
IUPAC Name(3R)-N-[[[(3R)-1,1-dioxothiolan-3-yl]amino]-[[(3S)-1,1-dioxothiolan-3-yl]amino]phosphoryl]-1,1-dioxothiolan-3-amine
SMILESO=P(N[C@@H]1CCS(=O)(=O)C1)(N[C@@H]1CCS(=O)(=O)C1)N[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C12H24N3O7PS3/c16-23(13-10-1-4-24(17,18)7-10,14-11-2-5-25(19,20)8-11)15-12-3-6-26(21,22)9-12/h10-12H,1-9H2,(H3,13,14,15,16)/t10-,11-,12+/m1/s1
InChIKeySCONGPBLURWJQC-UTUOFQBUSA-N
XLogP-1.58
TPSA155.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 5-1.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (3R)-N-[[[(3R)-1,1-dioxothiolan-3-yl]amino]-[[(3S)-1,1-dioxothiolan-3-yl]amino]phosphoryl]-1,1-dioxothiolan-3-amine with MolForge

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Related Compounds

(1,1-dioxothiolan-3-yl)hydrazine;hydrochloride
CID 2770116
[(1,1-dioxothiolan-3-yl)amino]azanium;hydrochloride
CID 155928072
N,N'-bis[(3S)-1,1-dioxothiolan-3-yl]oxamide
CID 7102189
1,3-bis(1,1-dioxothiolan-3-yl)urea
CID 2831152
(3R)-N-cyclopentyl-1,1-dioxothiolan-3-amine
CID 7129043
N-(1,1-dioxothiolan-3-yl)carbamoyl iodide
CID 126633838
N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 7114858
N-cyclopropyl-N'-(1,1-dioxothiolan-3-yl)oxamide
CID 108526860
N-(1,1-dioxothiolan-3-yl)-2,6-dihydroxybenzamide
CID 103749000
N'-(1,1-dioxothiolan-3-yl)ethane-1,2-diamine
CID 2772236
N-[(1,1-dioxothiolan-3-yl)methyl]-1,1-dioxothiolan-3-amine
CID 61057897
2-[[(3S)-1,1-dioxothiolan-3-yl]amino]ethanol
CID 7058904

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[[(3R)-1,1-dioxothiolan-3-yl]amino]-[[(3S)-1,1-dioxothiolan-3-yl]amino]phosphoryl]-1,1-dioxothiolan-3-amine?
The IUPAC name of (3R)-N-[[[(3R)-1,1-dioxothiolan-3-yl]amino]-[[(3S)-1,1-dioxothiolan-3-yl]amino]phosphoryl]-1,1-dioxothiolan-3-amine (CID 98143335) is (3R)-N-[[[(3R)-1,1-dioxothiolan-3-yl]amino]-[[(3S)-1,1-dioxothiolan-3-yl]amino]phosphoryl]-1,1-dioxothiolan-3-amine.
What is the SMILES notation for (3R)-N-[[[(3R)-1,1-dioxothiolan-3-yl]amino]-[[(3S)-1,1-dioxothiolan-3-yl]amino]phosphoryl]-1,1-dioxothiolan-3-amine?
The canonical SMILES for (3R)-N-[[[(3R)-1,1-dioxothiolan-3-yl]amino]-[[(3S)-1,1-dioxothiolan-3-yl]amino]phosphoryl]-1,1-dioxothiolan-3-amine is O=P(N[C@@H]1CCS(=O)(=O)C1)(N[C@@H]1CCS(=O)(=O)C1)N[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of (3R)-N-[[[(3R)-1,1-dioxothiolan-3-yl]amino]-[[(3S)-1,1-dioxothiolan-3-yl]amino]phosphoryl]-1,1-dioxothiolan-3-amine?
The InChIKey is SCONGPBLURWJQC-UTUOFQBUSA-N. The full InChI is InChI=1S/C12H24N3O7PS3/c16-23(13-10-1-4-24(17,18)7-10,14-11-2-5-25(19,20)8-11)15-12-3-6-26(21,22)9-12/h10-12H,1-9H2,(H3,13,14,15,16)/t10-,11-,12+/m1/s1.
What are the key properties of (3R)-N-[[[(3R)-1,1-dioxothiolan-3-yl]amino]-[[(3S)-1,1-dioxothiolan-3-yl]amino]phosphoryl]-1,1-dioxothiolan-3-amine?
(3R)-N-[[[(3R)-1,1-dioxothiolan-3-yl]amino]-[[(3S)-1,1-dioxothiolan-3-yl]amino]phosphoryl]-1,1-dioxothiolan-3-amine has a molecular weight of 449.51 g/mol, XLogP of -1.58, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[[(3R)-1,1-dioxothiolan-3-yl]amino]-[[(3S)-1,1-dioxothiolan-3-yl]amino]phosphoryl]-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 98143335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).