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

C17H34N4O2S — CID 84556059

IUPACtert-butyl N-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamothioylamino]ethyl]carbamate
SMILESCC1(C)CC(NC(=S)NCCNC(=O)OC(C)(C)C)CC(C)(C)N1
InChIInChI=1S/C17H34N4O2S/c1-15(2,3)23-14(22)19-9-8-18-13(24)20-12-10-16(4,5)21-17(6,7)11-12/h12,21H,8-11H2,1-7H3,(H,19,22)(H2,18,20,24)
InChIKeyRBGMIFLQJIKTES-UHFFFAOYSA-N
MW358.55 g/mol
LogP2.28
Rot. Bonds4

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

tert-butyl N-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamothioylamino]ethyl]carbamate (PubChem CID 84556059) has the molecular formula C17H34N4O2S and a molecular weight of 358.55 g/mol. Its IUPAC name is tert-butyl N-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamothioylamino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamothioylamino]ethyl]carbamate
PubChem CID84556059
Molecular FormulaC17H34N4O2S
Molecular Weight358.55 g/mol
Exact Mass358.24
IUPAC Nametert-butyl N-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamothioylamino]ethyl]carbamate
SMILESCC1(C)CC(NC(=S)NCCNC(=O)OC(C)(C)C)CC(C)(C)N1
InChIInChI=1S/C17H34N4O2S/c1-15(2,3)23-14(22)19-9-8-18-13(24)20-12-10-16(4,5)21-17(6,7)11-12/h12,21H,8-11H2,1-7H3,(H,19,22)(H2,18,20,24)
InChIKeyRBGMIFLQJIKTES-UHFFFAOYSA-N
XLogP2.28
TPSA74.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.55
LogP ≤ 52.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl N-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamothioylamino]ethyl]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-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]sulfanylethyl]carbamate
CID 84557367
tert-butyl N-[2-[(2-methylcyclohexyl)carbamothioylamino]ethyl]carbamate
CID 84556062
tert-butyl (E)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]but-2-enoate
CID 59878982
2-[(2-methylpropan-2-yl)oxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 112604371
N-(2-methoxyethyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
CID 3647066
2,2-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide
CID 59345639
tert-butyl N-[2-(azetidin-3-ylamino)ethyl]carbamate
CID 107241432
tert-butyl N-[(3-amino-1-methylcyclobutyl)methyl]carbamate
CID 105468024
tert-butyl N-[2-(3-methylazetidin-3-yl)ethyl]carbamate
CID 105467938
2,2,2-trifluoroethyl N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate
CID 65168543
tert-butyl N-[3-[(2,2-dimethylcyclopropyl)amino]-3-oxopropyl]carbamate
CID 61217502
1-tert-butyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 108896891

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamothioylamino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamothioylamino]ethyl]carbamate (CID 84556059) is tert-butyl N-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamothioylamino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamothioylamino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamothioylamino]ethyl]carbamate is CC1(C)CC(NC(=S)NCCNC(=O)OC(C)(C)C)CC(C)(C)N1.
What is the InChIKey of tert-butyl N-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamothioylamino]ethyl]carbamate?
The InChIKey is RBGMIFLQJIKTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O2S/c1-15(2,3)23-14(22)19-9-8-18-13(24)20-12-10-16(4,5)21-17(6,7)11-12/h12,21H,8-11H2,1-7H3,(H,19,22)(H2,18,20,24).
What are the key properties of tert-butyl N-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamothioylamino]ethyl]carbamate?
tert-butyl N-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamothioylamino]ethyl]carbamate has a molecular weight of 358.55 g/mol, XLogP of 2.28, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamothioylamino]ethyl]carbamate is sourced from PubChem (CID 84556059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).