tert-butyl N-[(2S)-1-[benzenesulfonyl(methyl)amino]propan-2-yl]carbamate

C15H24N2O4S — CID 110315307

IUPACtert-butyl N-[(2S)-1-[benzenesulfonyl(methyl)amino]propan-2-yl]carbamate
SMILESC[C@@H](CN(C)S(=O)(=O)c1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H24N2O4S/c1-12(16-14(18)21-15(2,3)4)11-17(5)22(19,20)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3,(H,16,18)/t12-/m0/s1
InChIKeyNFRSGCXQKQKGMX-LBPRGKRZSA-N
MW328.43 g/mol
LogP2.22
Rot. Bonds5

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

tert-butyl N-[(2S)-1-[benzenesulfonyl(methyl)amino]propan-2-yl]carbamate (PubChem CID 110315307) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-[benzenesulfonyl(methyl)amino]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-[benzenesulfonyl(methyl)amino]propan-2-yl]carbamate
PubChem CID110315307
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC Nametert-butyl N-[(2S)-1-[benzenesulfonyl(methyl)amino]propan-2-yl]carbamate
SMILESC[C@@H](CN(C)S(=O)(=O)c1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H24N2O4S/c1-12(16-14(18)21-15(2,3)4)11-17(5)22(19,20)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3,(H,16,18)/t12-/m0/s1
InChIKeyNFRSGCXQKQKGMX-LBPRGKRZSA-N
XLogP2.22
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(2S)-1-[methyl-(4-propan-2-ylphenyl)sulfonylamino]propan-2-yl]carbamate
CID 110315317
tert-butyl N-[1-[[3-(dimethylsulfamoyl)benzoyl]-methylamino]propan-2-yl]carbamate
CID 110633583
tert-butyl N-[(2S)-1-[methyl-[(4-methylphenyl)methylsulfonyl]amino]propan-2-yl]carbamate
CID 110315342
1,1'-biphenyl;tert-butyl N-[(2R)-1-hydroxypropan-2-yl]carbamate
CID 175560778
tert-butyl N-[(2R)-1-phenoxypropan-2-yl]carbamate
CID 10586857
tert-butyl N-[(2R)-1-(benzenesulfonyl)butan-2-yl]carbamate
CID 11758798
tert-butyl N-[(1S,2S)-3-(benzenesulfonyl)-2-hydroxy-1-phenylpropyl]carbamate
CID 11069210
tert-butyl N-[1-[benzyl-(2-chloroacetyl)amino]propan-2-yl]carbamate
CID 175047776
tert-butyl N-[(2S)-5-phenylpentan-2-yl]carbamate
CID 174720496
N-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 123917247
tert-butyl N-(1-benzamidopropan-2-yl)carbamate
CID 177434930
tert-butyl N-[(2S)-1-[(4-tert-butylbenzoyl)-methylamino]propan-2-yl]carbamate
CID 110315248

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-[benzenesulfonyl(methyl)amino]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-[benzenesulfonyl(methyl)amino]propan-2-yl]carbamate (CID 110315307) is tert-butyl N-[(2S)-1-[benzenesulfonyl(methyl)amino]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-[benzenesulfonyl(methyl)amino]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-[benzenesulfonyl(methyl)amino]propan-2-yl]carbamate is C[C@@H](CN(C)S(=O)(=O)c1ccccc1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-1-[benzenesulfonyl(methyl)amino]propan-2-yl]carbamate?
The InChIKey is NFRSGCXQKQKGMX-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-12(16-14(18)21-15(2,3)4)11-17(5)22(19,20)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3,(H,16,18)/t12-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-[benzenesulfonyl(methyl)amino]propan-2-yl]carbamate?
tert-butyl N-[(2S)-1-[benzenesulfonyl(methyl)amino]propan-2-yl]carbamate has a molecular weight of 328.43 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-[benzenesulfonyl(methyl)amino]propan-2-yl]carbamate is sourced from PubChem (CID 110315307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).