N-[(3R)-1,1-dioxothiolan-3-yl]-N-[5-[(3R)-1,1-dioxothiolan-3-yl]oxypentyl]formamide

C14H25NO6S2 — CID 99976873

IUPACN-[(3R)-1,1-dioxothiolan-3-yl]-N-[5-[(3R)-1,1-dioxothiolan-3-yl]oxypentyl]formamide
SMILESO=CN(CCCCCO[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C14H25NO6S2/c16-12-15(13-4-8-22(17,18)10-13)6-2-1-3-7-21-14-5-9-23(19,20)11-14/h12-14H,1-11H2/t13-,14-/m1/s1
InChIKeyHDKQYCOTFPCXQY-ZIAGYGMSSA-N
MW367.49 g/mol
LogP0.01
Rot. Bonds9

About N-[(3R)-1,1-dioxothiolan-3-yl]-N-[5-[(3R)-1,1-dioxothiolan-3-yl]oxypentyl]formamide

N-[(3R)-1,1-dioxothiolan-3-yl]-N-[5-[(3R)-1,1-dioxothiolan-3-yl]oxypentyl]formamide (PubChem CID 99976873) has the molecular formula C14H25NO6S2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-[(3R)-1,1-dioxothiolan-3-yl]-N-[5-[(3R)-1,1-dioxothiolan-3-yl]oxypentyl]formamide.

Molecular Properties

Compound NameN-[(3R)-1,1-dioxothiolan-3-yl]-N-[5-[(3R)-1,1-dioxothiolan-3-yl]oxypentyl]formamide
PubChem CID99976873
Molecular FormulaC14H25NO6S2
Molecular Weight367.49 g/mol
Exact Mass367.11
IUPAC NameN-[(3R)-1,1-dioxothiolan-3-yl]-N-[5-[(3R)-1,1-dioxothiolan-3-yl]oxypentyl]formamide
SMILESO=CN(CCCCCO[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C14H25NO6S2/c16-12-15(13-4-8-22(17,18)10-13)6-2-1-3-7-21-14-5-9-23(19,20)11-14/h12-14H,1-11H2/t13-,14-/m1/s1
InChIKeyHDKQYCOTFPCXQY-ZIAGYGMSSA-N
XLogP0.01
TPSA97.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(3S)-1,1-dioxothiolan-3-yl]-N-[3-[(3S)-1,1-dioxothiolan-3-yl]oxypropyl]formamide
CID 99976860
N-[(3R)-1,1-dioxothiolan-3-yl]-N-[2-[[(3S)-1,1-dioxothiolan-3-yl]-formylamino]ethyl]formamide
CID 99976773
N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)formamide
CID 62113335
(3S)-3-hexadecoxythiolane 1,1-dioxide
CID 98117286
(3S)-3-[2-[2-[(3S)-1,1-dioxothiolan-3-yl]oxyethoxy]ethoxy]thiolane 1,1-dioxide
CID 40549365
2-(1,1-dioxothiolan-3-yl)oxy-N-ethylethanamine
CID 62336115
(3R)-3-propoxythiolane 1,1-dioxide
CID 51410713
N-[2-(1,1-dioxothiolan-3-yl)oxyethyl]-1,1-dioxothiolan-3-amine
CID 46398595
N-[2-[[(3R)-1,1-dioxothiolan-3-yl]-formylamino]ethyl]propanamide
CID 99977281
(3S)-3-ethoxythiolane 1,1-dioxide
CID 40511911
4-(10-methoxydecoxy)thiane 1,1-dioxide
CID 164916307
2-(1,1-dioxothiolan-3-yl)oxyethyl-trimethylazanium iodide
CID 12045039

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-N-[5-[(3R)-1,1-dioxothiolan-3-yl]oxypentyl]formamide?
The IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-N-[5-[(3R)-1,1-dioxothiolan-3-yl]oxypentyl]formamide (CID 99976873) is N-[(3R)-1,1-dioxothiolan-3-yl]-N-[5-[(3R)-1,1-dioxothiolan-3-yl]oxypentyl]formamide.
What is the SMILES notation for N-[(3R)-1,1-dioxothiolan-3-yl]-N-[5-[(3R)-1,1-dioxothiolan-3-yl]oxypentyl]formamide?
The canonical SMILES for N-[(3R)-1,1-dioxothiolan-3-yl]-N-[5-[(3R)-1,1-dioxothiolan-3-yl]oxypentyl]formamide is O=CN(CCCCCO[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[(3R)-1,1-dioxothiolan-3-yl]-N-[5-[(3R)-1,1-dioxothiolan-3-yl]oxypentyl]formamide?
The InChIKey is HDKQYCOTFPCXQY-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H25NO6S2/c16-12-15(13-4-8-22(17,18)10-13)6-2-1-3-7-21-14-5-9-23(19,20)11-14/h12-14H,1-11H2/t13-,14-/m1/s1.
What are the key properties of N-[(3R)-1,1-dioxothiolan-3-yl]-N-[5-[(3R)-1,1-dioxothiolan-3-yl]oxypentyl]formamide?
N-[(3R)-1,1-dioxothiolan-3-yl]-N-[5-[(3R)-1,1-dioxothiolan-3-yl]oxypentyl]formamide has a molecular weight of 367.49 g/mol, XLogP of 0.01, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1,1-dioxothiolan-3-yl]-N-[5-[(3R)-1,1-dioxothiolan-3-yl]oxypentyl]formamide is sourced from PubChem (CID 99976873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).