tert-butyl N-[(2R)-2-cyclopropyl-2-[(3-methylthiophene-2-carbonyl)amino]ethyl]carbamate

C16H24N2O3S — CID 95776019

IUPACtert-butyl N-[(2R)-2-cyclopropyl-2-[(3-methylthiophene-2-carbonyl)amino]ethyl]carbamate
SMILESCc1ccsc1C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C16H24N2O3S/c1-10-7-8-22-13(10)14(19)18-12(11-5-6-11)9-17-15(20)21-16(2,3)4/h7-8,11-12H,5-6,9H2,1-4H3,(H,17,20)(H,18,19)/t12-/m0/s1
InChIKeyDDWHLCHZCWGBSO-LBPRGKRZSA-N
MW324.45 g/mol
LogP3.09
Rot. Bonds5

About tert-butyl N-[(2R)-2-cyclopropyl-2-[(3-methylthiophene-2-carbonyl)amino]ethyl]carbamate

tert-butyl N-[(2R)-2-cyclopropyl-2-[(3-methylthiophene-2-carbonyl)amino]ethyl]carbamate (PubChem CID 95776019) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is tert-butyl N-[(2R)-2-cyclopropyl-2-[(3-methylthiophene-2-carbonyl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-2-cyclopropyl-2-[(3-methylthiophene-2-carbonyl)amino]ethyl]carbamate
PubChem CID95776019
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Nametert-butyl N-[(2R)-2-cyclopropyl-2-[(3-methylthiophene-2-carbonyl)amino]ethyl]carbamate
SMILESCc1ccsc1C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C16H24N2O3S/c1-10-7-8-22-13(10)14(19)18-12(11-5-6-11)9-17-15(20)21-16(2,3)4/h7-8,11-12H,5-6,9H2,1-4H3,(H,17,20)(H,18,19)/t12-/m0/s1
InChIKeyDDWHLCHZCWGBSO-LBPRGKRZSA-N
XLogP3.09
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-2-cyclopropyl-2-[(3-methylthiophene-2-carbonyl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-2-cyclopropyl-2-[(3-methylthiophene-2-carbonyl)amino]ethyl]carbamate (CID 95776019) is tert-butyl N-[(2R)-2-cyclopropyl-2-[(3-methylthiophene-2-carbonyl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-2-cyclopropyl-2-[(3-methylthiophene-2-carbonyl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-2-cyclopropyl-2-[(3-methylthiophene-2-carbonyl)amino]ethyl]carbamate is Cc1ccsc1C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CC1.
What is the InChIKey of tert-butyl N-[(2R)-2-cyclopropyl-2-[(3-methylthiophene-2-carbonyl)amino]ethyl]carbamate?
The InChIKey is DDWHLCHZCWGBSO-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-10-7-8-22-13(10)14(19)18-12(11-5-6-11)9-17-15(20)21-16(2,3)4/h7-8,11-12H,5-6,9H2,1-4H3,(H,17,20)(H,18,19)/t12-/m0/s1.
What are the key properties of tert-butyl N-[(2R)-2-cyclopropyl-2-[(3-methylthiophene-2-carbonyl)amino]ethyl]carbamate?
tert-butyl N-[(2R)-2-cyclopropyl-2-[(3-methylthiophene-2-carbonyl)amino]ethyl]carbamate has a molecular weight of 324.45 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-2-cyclopropyl-2-[(3-methylthiophene-2-carbonyl)amino]ethyl]carbamate is sourced from PubChem (CID 95776019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).