methyl N-[(1S)-2-methyl-1-thiophen-3-ylpropyl]carbamate

C10H15NO2S — CID 16733729

IUPACmethyl N-[(1S)-2-methyl-1-thiophen-3-ylpropyl]carbamate
SMILESCOC(=O)N[C@H](c1ccsc1)C(C)C
InChIInChI=1S/C10H15NO2S/c1-7(2)9(11-10(12)13-3)8-4-5-14-6-8/h4-7,9H,1-3H3,(H,11,12)/t9-/m0/s1
InChIKeyHPCJVYKVBFUVFN-VIFPVBQESA-N
MW213.30 g/mol
LogP2.80
Rot. Bonds3

About methyl N-[(1S)-2-methyl-1-thiophen-3-ylpropyl]carbamate

methyl N-[(1S)-2-methyl-1-thiophen-3-ylpropyl]carbamate (PubChem CID 16733729) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is methyl N-[(1S)-2-methyl-1-thiophen-3-ylpropyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(1S)-2-methyl-1-thiophen-3-ylpropyl]carbamate
PubChem CID16733729
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Namemethyl N-[(1S)-2-methyl-1-thiophen-3-ylpropyl]carbamate
SMILESCOC(=O)N[C@H](c1ccsc1)C(C)C
InChIInChI=1S/C10H15NO2S/c1-7(2)9(11-10(12)13-3)8-4-5-14-6-8/h4-7,9H,1-3H3,(H,11,12)/t9-/m0/s1
InChIKeyHPCJVYKVBFUVFN-VIFPVBQESA-N
XLogP2.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl N-[(1S)-2-methyl-1-thiophen-3-ylpropyl]carbamate?
The IUPAC name of methyl N-[(1S)-2-methyl-1-thiophen-3-ylpropyl]carbamate (CID 16733729) is methyl N-[(1S)-2-methyl-1-thiophen-3-ylpropyl]carbamate.
What is the SMILES notation for methyl N-[(1S)-2-methyl-1-thiophen-3-ylpropyl]carbamate?
The canonical SMILES for methyl N-[(1S)-2-methyl-1-thiophen-3-ylpropyl]carbamate is COC(=O)N[C@H](c1ccsc1)C(C)C.
What is the InChIKey of methyl N-[(1S)-2-methyl-1-thiophen-3-ylpropyl]carbamate?
The InChIKey is HPCJVYKVBFUVFN-VIFPVBQESA-N. The full InChI is InChI=1S/C10H15NO2S/c1-7(2)9(11-10(12)13-3)8-4-5-14-6-8/h4-7,9H,1-3H3,(H,11,12)/t9-/m0/s1.
What are the key properties of methyl N-[(1S)-2-methyl-1-thiophen-3-ylpropyl]carbamate?
methyl N-[(1S)-2-methyl-1-thiophen-3-ylpropyl]carbamate has a molecular weight of 213.30 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(1S)-2-methyl-1-thiophen-3-ylpropyl]carbamate is sourced from PubChem (CID 16733729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).