tert-butyl N-methyl-N-[(2R)-1-[methyl(methylsulfonyl)amino]-3-thiophen-2-ylpropan-2-yl]carbamate

C15H26N2O4S2 — CID 54560404

IUPACtert-butyl N-methyl-N-[(2R)-1-[methyl(methylsulfonyl)amino]-3-thiophen-2-ylpropan-2-yl]carbamate
SMILESCN(C(=O)OC(C)(C)C)[C@H](Cc1cccs1)CN(C)S(C)(=O)=O
InChIInChI=1S/C15H26N2O4S2/c1-15(2,3)21-14(18)17(5)12(10-13-8-7-9-22-13)11-16(4)23(6,19)20/h7-9,12H,10-11H2,1-6H3/t12-/m1/s1
InChIKeyZQDMMKJMGMDUFD-GFCCVEGCSA-N
MW362.52 g/mol
LogP2.42
Rot. Bonds6

About tert-butyl N-methyl-N-[(2R)-1-[methyl(methylsulfonyl)amino]-3-thiophen-2-ylpropan-2-yl]carbamate

tert-butyl N-methyl-N-[(2R)-1-[methyl(methylsulfonyl)amino]-3-thiophen-2-ylpropan-2-yl]carbamate (PubChem CID 54560404) has the molecular formula C15H26N2O4S2 and a molecular weight of 362.52 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[(2R)-1-[methyl(methylsulfonyl)amino]-3-thiophen-2-ylpropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[(2R)-1-[methyl(methylsulfonyl)amino]-3-thiophen-2-ylpropan-2-yl]carbamate
PubChem CID54560404
Molecular FormulaC15H26N2O4S2
Molecular Weight362.52 g/mol
Exact Mass362.13
IUPAC Nametert-butyl N-methyl-N-[(2R)-1-[methyl(methylsulfonyl)amino]-3-thiophen-2-ylpropan-2-yl]carbamate
SMILESCN(C(=O)OC(C)(C)C)[C@H](Cc1cccs1)CN(C)S(C)(=O)=O
InChIInChI=1S/C15H26N2O4S2/c1-15(2,3)21-14(18)17(5)12(10-13-8-7-9-22-13)11-16(4)23(6,19)20/h7-9,12H,10-11H2,1-6H3/t12-/m1/s1
InChIKeyZQDMMKJMGMDUFD-GFCCVEGCSA-N
XLogP2.42
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[(2R)-1-[methyl(methylsulfonyl)amino]-3-thiophen-2-ylpropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[(2R)-1-[methyl(methylsulfonyl)amino]-3-thiophen-2-ylpropan-2-yl]carbamate (CID 54560404) is tert-butyl N-methyl-N-[(2R)-1-[methyl(methylsulfonyl)amino]-3-thiophen-2-ylpropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[(2R)-1-[methyl(methylsulfonyl)amino]-3-thiophen-2-ylpropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[(2R)-1-[methyl(methylsulfonyl)amino]-3-thiophen-2-ylpropan-2-yl]carbamate is CN(C(=O)OC(C)(C)C)[C@H](Cc1cccs1)CN(C)S(C)(=O)=O.
What is the InChIKey of tert-butyl N-methyl-N-[(2R)-1-[methyl(methylsulfonyl)amino]-3-thiophen-2-ylpropan-2-yl]carbamate?
The InChIKey is ZQDMMKJMGMDUFD-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H26N2O4S2/c1-15(2,3)21-14(18)17(5)12(10-13-8-7-9-22-13)11-16(4)23(6,19)20/h7-9,12H,10-11H2,1-6H3/t12-/m1/s1.
What are the key properties of tert-butyl N-methyl-N-[(2R)-1-[methyl(methylsulfonyl)amino]-3-thiophen-2-ylpropan-2-yl]carbamate?
tert-butyl N-methyl-N-[(2R)-1-[methyl(methylsulfonyl)amino]-3-thiophen-2-ylpropan-2-yl]carbamate has a molecular weight of 362.52 g/mol, XLogP of 2.42, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[(2R)-1-[methyl(methylsulfonyl)amino]-3-thiophen-2-ylpropan-2-yl]carbamate is sourced from PubChem (CID 54560404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).