tert-butyl N-[2-[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]sulfanylethyl]carbamate

C18H35N3O3S — CID 84557367

IUPACtert-butyl N-[2-[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]sulfanylethyl]carbamate
SMILESCC1(C)CC(NC(=O)CSCCNC(=O)OC(C)(C)C)CC(C)(C)N1
InChIInChI=1S/C18H35N3O3S/c1-16(2,3)24-15(23)19-8-9-25-12-14(22)20-13-10-17(4,5)21-18(6,7)11-13/h13,21H,8-12H2,1-7H3,(H,19,23)(H,20,22)
InChIKeyBPWHPMMXVBIFCJ-UHFFFAOYSA-N
MW373.56 g/mol
LogP2.67
Rot. Bonds6

About tert-butyl N-[2-[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]sulfanylethyl]carbamate

tert-butyl N-[2-[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]sulfanylethyl]carbamate (PubChem CID 84557367) has the molecular formula C18H35N3O3S and a molecular weight of 373.56 g/mol. Its IUPAC name is tert-butyl N-[2-[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]sulfanylethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]sulfanylethyl]carbamate
PubChem CID84557367
Molecular FormulaC18H35N3O3S
Molecular Weight373.56 g/mol
Exact Mass373.24
IUPAC Nametert-butyl N-[2-[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]sulfanylethyl]carbamate
SMILESCC1(C)CC(NC(=O)CSCCNC(=O)OC(C)(C)C)CC(C)(C)N1
InChIInChI=1S/C18H35N3O3S/c1-16(2,3)24-15(23)19-8-9-25-12-14(22)20-13-10-17(4,5)21-18(6,7)11-13/h13,21H,8-12H2,1-7H3,(H,19,23)(H,20,22)
InChIKeyBPWHPMMXVBIFCJ-UHFFFAOYSA-N
XLogP2.67
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.56
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl N-[2-[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]sulfanylethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamothioylamino]ethyl]carbamate
CID 84556059
tert-butyl N-[2-[2-(1-adamantylamino)-2-oxoethyl]sulfanylethyl]carbamate
CID 84557446
2-[(2-methylpropan-2-yl)oxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 112604371
tert-butyl N-[2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylethyl]carbamate
CID 84558140
tert-butyl N-[2-[2-(butan-2-ylamino)-2-oxoethyl]sulfanylethyl]carbamate
CID 84558363
tert-butyl (E)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]but-2-enoate
CID 59878982
tert-butyl N-[2-(azetidin-3-ylamino)ethyl]carbamate
CID 107241432
3-methyl-2-[[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfanyl]acetyl]amino]butanoic acid
CID 84557365
2-(4-methylphenyl)sulfanyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 974703
tert-butyl N-[3-(cyclopropylamino)-3-oxopropyl]carbamate
CID 24688554
tert-butyl N-[2-(3-methylazetidin-3-yl)ethyl]carbamate
CID 105467938
tert-butyl N-[3-[(2,2-dimethylcyclopropyl)amino]-3-oxopropyl]carbamate
CID 61217502

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]sulfanylethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]sulfanylethyl]carbamate (CID 84557367) is tert-butyl N-[2-[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]sulfanylethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]sulfanylethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]sulfanylethyl]carbamate is CC1(C)CC(NC(=O)CSCCNC(=O)OC(C)(C)C)CC(C)(C)N1.
What is the InChIKey of tert-butyl N-[2-[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]sulfanylethyl]carbamate?
The InChIKey is BPWHPMMXVBIFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O3S/c1-16(2,3)24-15(23)19-8-9-25-12-14(22)20-13-10-17(4,5)21-18(6,7)11-13/h13,21H,8-12H2,1-7H3,(H,19,23)(H,20,22).
What are the key properties of tert-butyl N-[2-[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]sulfanylethyl]carbamate?
tert-butyl N-[2-[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]sulfanylethyl]carbamate has a molecular weight of 373.56 g/mol, XLogP of 2.67, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]sulfanylethyl]carbamate is sourced from PubChem (CID 84557367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).