CID 145362150

C15H19N3O4S2 — CID 145362150

IUPAC—
SMILESN#CCOC(=O)C1CCCN1C(=O)OCc1ccc(N)cc1.SS
InChIInChI=1S/C15H17N3O4.H2S2/c16-7-9-21-14(19)13-2-1-8-18(13)15(20)22-10-11-3-5-12(17)6-4-11;1-2/h3-6,13H,1-2,8-10,17H2;1-2H
InChIKeyHHRVXULBYBTOAN-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.20
Rot. Bonds4

About CID 145362150

CID 145362150 (PubChem CID 145362150) has the molecular formula C15H19N3O4S2 and a molecular weight of 369.47 g/mol.

Molecular Properties

Compound NameCID 145362150
PubChem CID145362150
Molecular FormulaC15H19N3O4S2
Molecular Weight369.47 g/mol
Exact Mass369.08
IUPAC Name—
SMILESN#CCOC(=O)C1CCCN1C(=O)OCc1ccc(N)cc1.SS
InChIInChI=1S/C15H17N3O4.H2S2/c16-7-9-21-14(19)13-2-1-8-18(13)15(20)22-10-11-3-5-12(17)6-4-11;1-2/h3-6,13H,1-2,8-10,17H2;1-2H
InChIKeyHHRVXULBYBTOAN-UHFFFAOYSA-N
XLogP2.20
TPSA105.65 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-O-[(4-aminophenyl)methyl] 2-O-(cyanomethyl) pyrrolidine-1,2-dicarboxylate
CID 145362151
1-O-benzyl 2-O-propyl pyrrolidine-1,2-dicarboxylate
CID 91699700
1-O-benzyl 2-O-(2-phenylethyl) (2S)-pyrrolidine-1,2-dicarboxylate
CID 139386187
2-O-benzyl 1-O-[2-(4-cyanophenyl)ethyl] pyrrolidine-1,2-dicarboxylate
CID 6733946
1-O-benzyl 2-O-[[6-[[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]oxymethyl]-2-pyridinyl]methyl] (2S)-pyrrolidine-1,2-dicarboxylate
CID 10603664
methyl (2S)-1-[(2R)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 118687273
methyl (2S)-1-[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 12859190
bis(prop-2-ynyl) pyrrolidine-1,2-dicarboxylate
CID 91721202
1-O-benzyl 2-O-methyl pyrrolidine-1,2-dicarboxylate;ethane;2-methylprop-1-ene
CID 143105082
1-O-benzyl 2-O-(2-methylpropyl) piperidine-1,2-dicarboxylate
CID 100995684
4-[[(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carbonyl]oxymethyl]benzoic acid
CID 10254180
benzyl 2-benzoylpyrrolidine-1-carboxylate
CID 110357682

Frequently Asked Questions

What is the IUPAC name of CID 145362150?
The IUPAC name of CID 145362150 (CID 145362150) is not available.
What is the SMILES notation for CID 145362150?
The canonical SMILES for CID 145362150 is N#CCOC(=O)C1CCCN1C(=O)OCc1ccc(N)cc1.SS.
What is the InChIKey of CID 145362150?
The InChIKey is HHRVXULBYBTOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4.H2S2/c16-7-9-21-14(19)13-2-1-8-18(13)15(20)22-10-11-3-5-12(17)6-4-11;1-2/h3-6,13H,1-2,8-10,17H2;1-2H.
What are the key properties of CID 145362150?
CID 145362150 has a molecular weight of 369.47 g/mol, XLogP of 2.20, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 145362150 is sourced from PubChem (CID 145362150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).