N-[1-oxo-1-(3-thiophen-2-ylpropylamino)propan-2-yl]carbamate

C11H15N2O3S- — CID 23047137

IUPACN-[1-oxo-1-(3-thiophen-2-ylpropylamino)propan-2-yl]carbamate
SMILESCC(NC(=O)[O-])C(=O)NCCCc1cccs1
InChIInChI=1S/C11H16N2O3S/c1-8(13-11(15)16)10(14)12-6-2-4-9-5-3-7-17-9/h3,5,7-8,13H,2,4,6H2,1H3,(H,12,14)(H,15,16)/p-1
InChIKeyZTDGRTFWWPJDKO-UHFFFAOYSA-M
MW255.32 g/mol
LogP0.12
Rot. Bonds6

About N-[1-oxo-1-(3-thiophen-2-ylpropylamino)propan-2-yl]carbamate

N-[1-oxo-1-(3-thiophen-2-ylpropylamino)propan-2-yl]carbamate (PubChem CID 23047137) has the molecular formula C11H15N2O3S- and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[1-oxo-1-(3-thiophen-2-ylpropylamino)propan-2-yl]carbamate.

Molecular Properties

Compound NameN-[1-oxo-1-(3-thiophen-2-ylpropylamino)propan-2-yl]carbamate
PubChem CID23047137
Molecular FormulaC11H15N2O3S-
Molecular Weight255.32 g/mol
Exact Mass255.08
IUPAC NameN-[1-oxo-1-(3-thiophen-2-ylpropylamino)propan-2-yl]carbamate
SMILESCC(NC(=O)[O-])C(=O)NCCCc1cccs1
InChIInChI=1S/C11H16N2O3S/c1-8(13-11(15)16)10(14)12-6-2-4-9-5-3-7-17-9/h3,5,7-8,13H,2,4,6H2,1H3,(H,12,14)(H,15,16)/p-1
InChIKeyZTDGRTFWWPJDKO-UHFFFAOYSA-M
XLogP0.12
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-[3-(4-fluorophenyl)propylamino]-1-oxopropan-2-yl]carbamate
CID 23047132
benzyl N-[(2S)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]carbamate
CID 18111263
5-oxo-N-(3-thiophen-2-ylpropyl)hexanamide
CID 144920925
(2R)-N-ethyl-2-[(2-thiophen-2-ylacetyl)amino]propanamide
CID 8750175
N-[1-oxo-1-[3-(1H-1,2,4-triazol-5-yl)propylamino]propan-2-yl]thiophene-2-carboxamide
CID 64517630
N-pentan-3-yl-2-(2-thiophen-2-ylethylamino)propanamide
CID 43112690
ethyl 2-(4-thiophen-2-ylbutanoylamino)propanoate
CID 61343312
3-methyl-N-(3-thiophen-2-ylpropyl)butan-2-amine
CID 115897426
N-tert-butyl-2-(2-thiophen-2-ylethylamino)propanamide
CID 43087974
N-(3-aminobutyl)-4-thiophen-2-ylbutanamide
CID 63253791
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2-thiophen-2-ylethyl)propanamide
CID 111750360
2-methyl-N-[2-[[N'-methyl-N-(2-thiophen-2-ylethyl)carbamimidoyl]amino]ethyl]propanamide
CID 111350666

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-(3-thiophen-2-ylpropylamino)propan-2-yl]carbamate?
The IUPAC name of N-[1-oxo-1-(3-thiophen-2-ylpropylamino)propan-2-yl]carbamate (CID 23047137) is N-[1-oxo-1-(3-thiophen-2-ylpropylamino)propan-2-yl]carbamate.
What is the SMILES notation for N-[1-oxo-1-(3-thiophen-2-ylpropylamino)propan-2-yl]carbamate?
The canonical SMILES for N-[1-oxo-1-(3-thiophen-2-ylpropylamino)propan-2-yl]carbamate is CC(NC(=O)[O-])C(=O)NCCCc1cccs1.
What is the InChIKey of N-[1-oxo-1-(3-thiophen-2-ylpropylamino)propan-2-yl]carbamate?
The InChIKey is ZTDGRTFWWPJDKO-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H16N2O3S/c1-8(13-11(15)16)10(14)12-6-2-4-9-5-3-7-17-9/h3,5,7-8,13H,2,4,6H2,1H3,(H,12,14)(H,15,16)/p-1.
What are the key properties of N-[1-oxo-1-(3-thiophen-2-ylpropylamino)propan-2-yl]carbamate?
N-[1-oxo-1-(3-thiophen-2-ylpropylamino)propan-2-yl]carbamate has a molecular weight of 255.32 g/mol, XLogP of 0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-1-(3-thiophen-2-ylpropylamino)propan-2-yl]carbamate is sourced from PubChem (CID 23047137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).