ethyl N-[2-(2,3-dihydro-1H-benzotriazole-5-carbonylamino)thiolane-3-carbonyl]carbamate

C15H19N5O4S — CID 123616807

IUPACethyl N-[2-(2,3-dihydro-1H-benzotriazole-5-carbonylamino)thiolane-3-carbonyl]carbamate
SMILESCCOC(=O)NC(=O)C1CCSC1NC(=O)c1ccc2c(c1)NNN2
InChIInChI=1S/C15H19N5O4S/c1-2-24-15(23)17-13(22)9-5-6-25-14(9)16-12(21)8-3-4-10-11(7-8)19-20-18-10/h3-4,7,9,14,18-20H,2,5-6H2,1H3,(H,16,21)(H,17,22,23)
InChIKeyYGCSWILCIBMNIW-UHFFFAOYSA-N
MW365.42 g/mol
LogP1.03
Rot. Bonds4

About ethyl N-[2-(2,3-dihydro-1H-benzotriazole-5-carbonylamino)thiolane-3-carbonyl]carbamate

ethyl N-[2-(2,3-dihydro-1H-benzotriazole-5-carbonylamino)thiolane-3-carbonyl]carbamate (PubChem CID 123616807) has the molecular formula C15H19N5O4S and a molecular weight of 365.42 g/mol. Its IUPAC name is ethyl N-[2-(2,3-dihydro-1H-benzotriazole-5-carbonylamino)thiolane-3-carbonyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(2,3-dihydro-1H-benzotriazole-5-carbonylamino)thiolane-3-carbonyl]carbamate
PubChem CID123616807
Molecular FormulaC15H19N5O4S
Molecular Weight365.42 g/mol
Exact Mass365.12
IUPAC Nameethyl N-[2-(2,3-dihydro-1H-benzotriazole-5-carbonylamino)thiolane-3-carbonyl]carbamate
SMILESCCOC(=O)NC(=O)C1CCSC1NC(=O)c1ccc2c(c1)NNN2
InChIInChI=1S/C15H19N5O4S/c1-2-24-15(23)17-13(22)9-5-6-25-14(9)16-12(21)8-3-4-10-11(7-8)19-20-18-10/h3-4,7,9,14,18-20H,2,5-6H2,1H3,(H,16,21)(H,17,22,23)
InChIKeyYGCSWILCIBMNIW-UHFFFAOYSA-N
XLogP1.03
TPSA120.59 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 51.03
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl N-[2-[[4-(4-fluorophenoxy)benzoyl]amino]thiolane-3-carbonyl]carbamate
CID 123948335
propan-2-yl N-[2-(1,2,3,4-tetrahydroquinoxaline-6-carbonylamino)thiolane-3-carbonyl]carbamate
CID 123376492
propan-2-yl N-[2-(1,3-dihydro-2,1,3-benzoxadiazole-5-carbonylamino)-5-[2-[[2-(1,3-dihydro-2,1,3-benzoxadiazole-5-carbonylamino)thiolane-3-carbonyl]carbamoyloxy]ethyl]thiolane-3-carbonyl]carbamate
CID 123521591
ethyl N-[2-[(6-methyl-2,3-dihydro-1H-indazole-3-carbonyl)amino]-5-[2-[[2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)thiolane-3-carbonyl]carbamoyloxy]ethyl]thiolane-3-carbonyl]carbamate
CID 123864570
ethyl N-[2-[(5-acetyl-2,3-dihydro-1-benzothiophene-2-carbonyl)amino]thiolane-3-carbonyl]carbamate
CID 123393841
ethyl N-[2-[3-(2,3-dihydro-1,3-benzothiazol-2-yl)prop-2-enoylamino]thiolane-3-carbonyl]carbamate
CID 123986344
ethyl N-[2-[(5-methyl-2,3-dihydro-1-benzothiophene-2-carbonyl)amino]thiolane-3-carbonyl]carbamate
CID 123238565
ethyl N-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-b]pyridine-6-carbonylamino)thiolane-3-carbonyl]carbamate
CID 123917363
ethyl N-[2-[[3-(trifluoromethyl)cyclopentanecarbonyl]amino]thiolane-3-carbonyl]carbamate
CID 140731532
2-(2-ethoxyethoxy)ethyl N-[2-(2,3-dihydro-1,3-benzothiazole-2-carbonylamino)thiolane-3-carbonyl]carbamate
CID 123249845
ethyl N-[2-(1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine-2-carbonylamino)thiolane-3-carbonyl]carbamate
CID 123645276
ethyl N-[2-[(2-sulfanyl-2,3-dihydro-1H-benzimidazole-5-carbonyl)amino]thiophene-3-carbonyl]carbamate
CID 121467000

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(2,3-dihydro-1H-benzotriazole-5-carbonylamino)thiolane-3-carbonyl]carbamate?
The IUPAC name of ethyl N-[2-(2,3-dihydro-1H-benzotriazole-5-carbonylamino)thiolane-3-carbonyl]carbamate (CID 123616807) is ethyl N-[2-(2,3-dihydro-1H-benzotriazole-5-carbonylamino)thiolane-3-carbonyl]carbamate.
What is the SMILES notation for ethyl N-[2-(2,3-dihydro-1H-benzotriazole-5-carbonylamino)thiolane-3-carbonyl]carbamate?
The canonical SMILES for ethyl N-[2-(2,3-dihydro-1H-benzotriazole-5-carbonylamino)thiolane-3-carbonyl]carbamate is CCOC(=O)NC(=O)C1CCSC1NC(=O)c1ccc2c(c1)NNN2.
What is the InChIKey of ethyl N-[2-(2,3-dihydro-1H-benzotriazole-5-carbonylamino)thiolane-3-carbonyl]carbamate?
The InChIKey is YGCSWILCIBMNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O4S/c1-2-24-15(23)17-13(22)9-5-6-25-14(9)16-12(21)8-3-4-10-11(7-8)19-20-18-10/h3-4,7,9,14,18-20H,2,5-6H2,1H3,(H,16,21)(H,17,22,23).
What are the key properties of ethyl N-[2-(2,3-dihydro-1H-benzotriazole-5-carbonylamino)thiolane-3-carbonyl]carbamate?
ethyl N-[2-(2,3-dihydro-1H-benzotriazole-5-carbonylamino)thiolane-3-carbonyl]carbamate has a molecular weight of 365.42 g/mol, XLogP of 1.03, 4 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(2,3-dihydro-1H-benzotriazole-5-carbonylamino)thiolane-3-carbonyl]carbamate is sourced from PubChem (CID 123616807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).