tert-butyl N-[2-[(4-carbamoylthiophen-2-yl)methylamino]cyclopropyl]carbamate

C14H21N3O3S — CID 107237714

IUPACtert-butyl N-[2-[(4-carbamoylthiophen-2-yl)methylamino]cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC1NCc1cc(C(N)=O)cs1
InChIInChI=1S/C14H21N3O3S/c1-14(2,3)20-13(19)17-11-5-10(11)16-6-9-4-8(7-21-9)12(15)18/h4,7,10-11,16H,5-6H2,1-3H3,(H2,15,18)(H,17,19)
InChIKeyITMXMJOLTUJTKI-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.60
Rot. Bonds5

About tert-butyl N-[2-[(4-carbamoylthiophen-2-yl)methylamino]cyclopropyl]carbamate

tert-butyl N-[2-[(4-carbamoylthiophen-2-yl)methylamino]cyclopropyl]carbamate (PubChem CID 107237714) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is tert-butyl N-[2-[(4-carbamoylthiophen-2-yl)methylamino]cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(4-carbamoylthiophen-2-yl)methylamino]cyclopropyl]carbamate
PubChem CID107237714
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Nametert-butyl N-[2-[(4-carbamoylthiophen-2-yl)methylamino]cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC1NCc1cc(C(N)=O)cs1
InChIInChI=1S/C14H21N3O3S/c1-14(2,3)20-13(19)17-11-5-10(11)16-6-9-4-8(7-21-9)12(15)18/h4,7,10-11,16H,5-6H2,1-3H3,(H2,15,18)(H,17,19)
InChIKeyITMXMJOLTUJTKI-UHFFFAOYSA-N
XLogP1.60
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[(2-tert-butylcyclohexyl)amino]methyl]thiophene-3-carboxamide
CID 79613412
5-[[(2,3-dimethylcyclopentyl)amino]methyl]thiophene-3-carboxamide
CID 79614310
tert-butyl N-[3-[(4-carbamoylthiophen-2-yl)methylamino]propyl]carbamate
CID 103801906
tert-butyl N-[2-[(5-bromothiophen-2-yl)methylamino]cyclopropyl]carbamate
CID 107238273
tert-butyl N-[2-[(5-tert-butylthiophen-2-yl)methylamino]cyclopropyl]carbamate
CID 107238324
tert-butyl N-[(E)-4-[(4-carbamoylthiophen-2-yl)methylamino]but-2-enyl]carbamate
CID 107252829
4-[[[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]amino]methyl]benzoic acid
CID 107238255
tert-butyl N-[2-[(3,5-dichlorophenyl)methylamino]cyclopropyl]carbamate
CID 107238188
5-[[(2-hydroxycyclopentyl)amino]methyl]thiophene-3-carboxamide
CID 115735693
tert-butyl N-[2-[(3,4,5-trifluorophenyl)methylamino]cyclopropyl]carbamate
CID 107238083
5-[[[(1R,2R)-2-ethylcyclopentyl]amino]methyl]thiophene-3-carboxamide
CID 97236076
tert-butyl N-[2-[(2-hydroxyphenyl)methylamino]cyclopropyl]carbamate
CID 107237513

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(4-carbamoylthiophen-2-yl)methylamino]cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(4-carbamoylthiophen-2-yl)methylamino]cyclopropyl]carbamate (CID 107237714) is tert-butyl N-[2-[(4-carbamoylthiophen-2-yl)methylamino]cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(4-carbamoylthiophen-2-yl)methylamino]cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(4-carbamoylthiophen-2-yl)methylamino]cyclopropyl]carbamate is CC(C)(C)OC(=O)NC1CC1NCc1cc(C(N)=O)cs1.
What is the InChIKey of tert-butyl N-[2-[(4-carbamoylthiophen-2-yl)methylamino]cyclopropyl]carbamate?
The InChIKey is ITMXMJOLTUJTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-14(2,3)20-13(19)17-11-5-10(11)16-6-9-4-8(7-21-9)12(15)18/h4,7,10-11,16H,5-6H2,1-3H3,(H2,15,18)(H,17,19).
What are the key properties of tert-butyl N-[2-[(4-carbamoylthiophen-2-yl)methylamino]cyclopropyl]carbamate?
tert-butyl N-[2-[(4-carbamoylthiophen-2-yl)methylamino]cyclopropyl]carbamate has a molecular weight of 311.41 g/mol, XLogP of 1.60, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(4-carbamoylthiophen-2-yl)methylamino]cyclopropyl]carbamate is sourced from PubChem (CID 107237714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).