tert-butyl N-[2-[(5-methylthiolan-3-yl)amino]ethyl]-N-propan-2-ylcarbamate

C15H30N2O2S — CID 107245575

IUPACtert-butyl N-[2-[(5-methylthiolan-3-yl)amino]ethyl]-N-propan-2-ylcarbamate
SMILESCC1CC(NCCN(C(=O)OC(C)(C)C)C(C)C)CS1
InChIInChI=1S/C15H30N2O2S/c1-11(2)17(14(18)19-15(4,5)6)8-7-16-13-9-12(3)20-10-13/h11-13,16H,7-10H2,1-6H3
InChIKeyNTOBNPLTUYWGJS-UHFFFAOYSA-N
MW302.48 g/mol
LogP3.12
Rot. Bonds5

About tert-butyl N-[2-[(5-methylthiolan-3-yl)amino]ethyl]-N-propan-2-ylcarbamate

tert-butyl N-[2-[(5-methylthiolan-3-yl)amino]ethyl]-N-propan-2-ylcarbamate (PubChem CID 107245575) has the molecular formula C15H30N2O2S and a molecular weight of 302.48 g/mol. Its IUPAC name is tert-butyl N-[2-[(5-methylthiolan-3-yl)amino]ethyl]-N-propan-2-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(5-methylthiolan-3-yl)amino]ethyl]-N-propan-2-ylcarbamate
PubChem CID107245575
Molecular FormulaC15H30N2O2S
Molecular Weight302.48 g/mol
Exact Mass302.20
IUPAC Nametert-butyl N-[2-[(5-methylthiolan-3-yl)amino]ethyl]-N-propan-2-ylcarbamate
SMILESCC1CC(NCCN(C(=O)OC(C)(C)C)C(C)C)CS1
InChIInChI=1S/C15H30N2O2S/c1-11(2)17(14(18)19-15(4,5)6)8-7-16-13-9-12(3)20-10-13/h11-13,16H,7-10H2,1-6H3
InChIKeyNTOBNPLTUYWGJS-UHFFFAOYSA-N
XLogP3.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.48
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[(3-methylcyclobutyl)amino]ethyl]-N-propan-2-ylcarbamate
CID 107245712
tert-butyl N-[2-[(3-methoxycyclobutyl)amino]ethyl]-N-propan-2-ylcarbamate
CID 107246003
tert-butyl N-propan-2-yl-N-[2-(thian-3-ylamino)ethyl]carbamate
CID 107245630
tert-butyl N-[2-[(4-methylcyclohexyl)methylamino]ethyl]-N-propan-2-ylcarbamate
CID 107245646
tert-butyl 4-[2-[(5-methylthiolan-3-yl)amino]acetyl]piperazine-1-carboxylate
CID 107244189
tert-butyl N-propan-2-yl-N-[2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)ethyl]carbamate
CID 107245675
tert-butyl N-[2-(2-methylpentan-3-ylamino)ethyl]-N-propan-2-ylcarbamate
CID 107245904
tert-butyl N-methyl-N-[2-[(3-methylcyclopentyl)amino]ethyl]carbamate
CID 103698942
methyl 3-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]propanoate
CID 141040791
5-methyl-N-(2-methylpropyl)thiolan-3-amine
CID 57201026
tert-butyl N-(2-hydroxypropyl)-N-[2-(thiolan-3-ylamino)ethyl]carbamate
CID 107257189
tert-butyl N-[2-(octylamino)ethyl]-N-propan-2-ylcarbamate
CID 107245800

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(5-methylthiolan-3-yl)amino]ethyl]-N-propan-2-ylcarbamate?
The IUPAC name of tert-butyl N-[2-[(5-methylthiolan-3-yl)amino]ethyl]-N-propan-2-ylcarbamate (CID 107245575) is tert-butyl N-[2-[(5-methylthiolan-3-yl)amino]ethyl]-N-propan-2-ylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[(5-methylthiolan-3-yl)amino]ethyl]-N-propan-2-ylcarbamate?
The canonical SMILES for tert-butyl N-[2-[(5-methylthiolan-3-yl)amino]ethyl]-N-propan-2-ylcarbamate is CC1CC(NCCN(C(=O)OC(C)(C)C)C(C)C)CS1.
What is the InChIKey of tert-butyl N-[2-[(5-methylthiolan-3-yl)amino]ethyl]-N-propan-2-ylcarbamate?
The InChIKey is NTOBNPLTUYWGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2S/c1-11(2)17(14(18)19-15(4,5)6)8-7-16-13-9-12(3)20-10-13/h11-13,16H,7-10H2,1-6H3.
What are the key properties of tert-butyl N-[2-[(5-methylthiolan-3-yl)amino]ethyl]-N-propan-2-ylcarbamate?
tert-butyl N-[2-[(5-methylthiolan-3-yl)amino]ethyl]-N-propan-2-ylcarbamate has a molecular weight of 302.48 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(5-methylthiolan-3-yl)amino]ethyl]-N-propan-2-ylcarbamate is sourced from PubChem (CID 107245575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).