tert-butyl N-[2-methyl-1-[(2-methylthian-3-yl)amino]propan-2-yl]carbamate

C15H30N2O2S — CID 107249938

IUPACtert-butyl N-[2-methyl-1-[(2-methylthian-3-yl)amino]propan-2-yl]carbamate
SMILESCC1SCCCC1NCC(C)(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H30N2O2S/c1-11-12(8-7-9-20-11)16-10-15(5,6)17-13(18)19-14(2,3)4/h11-12,16H,7-10H2,1-6H3,(H,17,18)
InChIKeyVIZVGYSUWWTSOZ-UHFFFAOYSA-N
MW302.48 g/mol
LogP3.16
Rot. Bonds4

About tert-butyl N-[2-methyl-1-[(2-methylthian-3-yl)amino]propan-2-yl]carbamate

tert-butyl N-[2-methyl-1-[(2-methylthian-3-yl)amino]propan-2-yl]carbamate (PubChem CID 107249938) has the molecular formula C15H30N2O2S and a molecular weight of 302.48 g/mol. Its IUPAC name is tert-butyl N-[2-methyl-1-[(2-methylthian-3-yl)amino]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-methyl-1-[(2-methylthian-3-yl)amino]propan-2-yl]carbamate
PubChem CID107249938
Molecular FormulaC15H30N2O2S
Molecular Weight302.48 g/mol
Exact Mass302.20
IUPAC Nametert-butyl N-[2-methyl-1-[(2-methylthian-3-yl)amino]propan-2-yl]carbamate
SMILESCC1SCCCC1NCC(C)(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H30N2O2S/c1-11-12(8-7-9-20-11)16-10-15(5,6)17-13(18)19-14(2,3)4/h11-12,16H,7-10H2,1-6H3,(H,17,18)
InChIKeyVIZVGYSUWWTSOZ-UHFFFAOYSA-N
XLogP3.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.48
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[2-methyl-1-[(2-methylthian-3-yl)amino]propan-2-yl]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-cyclopropyl-N-[2-[(2-methylthian-3-yl)amino]ethyl]carbamate
CID 107246381
tert-butyl N-[1-(2-bicyclo[2.2.1]heptanylamino)-2-methylpropan-2-yl]carbamate
CID 103894982
tert-butyl N-[1-(1-azabicyclo[3.2.1]octan-4-ylamino)-2-methylpropan-2-yl]carbamate
CID 107249884
tert-butyl 4-methyl-4-[[(2-methylthian-3-yl)amino]methyl]piperidine-1-carboxylate
CID 107254571
tert-butyl N-cyclopropyl-N-[2-[(2-methylthiolan-3-yl)amino]ethyl]carbamate
CID 102672001
tert-butyl N-[2-methyl-1-[(4-methylcyclohexyl)methylamino]propan-2-yl]carbamate
CID 107249903
tert-butyl N-[[2-[(2-methyl-2-methylsulfonylpropyl)amino]cyclopentyl]methyl]carbamate
CID 103724687
tert-butyl N-[2-methyl-1-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-yl]carbamate
CID 104624550
tert-butyl N-[1-[(4-ethylcycloheptyl)amino]-2-methylpropan-2-yl]carbamate
CID 107249963
tert-butyl N-[4-(thiolan-2-ylmethylamino)cyclohexyl]carbamate
CID 80583721
tert-butyl N-[2-methyl-1-[(1-methylpiperidin-3-yl)amino]propan-2-yl]carbamate
CID 104624574
tert-butyl N-[1-[(3-methoxycyclohexyl)amino]-2-methylpropan-2-yl]carbamate
CID 104624820

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-methyl-1-[(2-methylthian-3-yl)amino]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[2-methyl-1-[(2-methylthian-3-yl)amino]propan-2-yl]carbamate (CID 107249938) is tert-butyl N-[2-methyl-1-[(2-methylthian-3-yl)amino]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-methyl-1-[(2-methylthian-3-yl)amino]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-methyl-1-[(2-methylthian-3-yl)amino]propan-2-yl]carbamate is CC1SCCCC1NCC(C)(C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-methyl-1-[(2-methylthian-3-yl)amino]propan-2-yl]carbamate?
The InChIKey is VIZVGYSUWWTSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2S/c1-11-12(8-7-9-20-11)16-10-15(5,6)17-13(18)19-14(2,3)4/h11-12,16H,7-10H2,1-6H3,(H,17,18).
What are the key properties of tert-butyl N-[2-methyl-1-[(2-methylthian-3-yl)amino]propan-2-yl]carbamate?
tert-butyl N-[2-methyl-1-[(2-methylthian-3-yl)amino]propan-2-yl]carbamate has a molecular weight of 302.48 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-methyl-1-[(2-methylthian-3-yl)amino]propan-2-yl]carbamate is sourced from PubChem (CID 107249938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).