methanamine;2-methylpropyl (NZ)-N-(thiophen-3-ylmethylidene)carbamate

C11H18N2O2S — CID 142239486

IUPACmethanamine;2-methylpropyl (NZ)-N-(thiophen-3-ylmethylidene)carbamate
SMILESCC(C)COC(=O)/N=C\c1ccsc1.CN
InChIInChI=1S/C10H13NO2S.CH5N/c1-8(2)6-13-10(12)11-5-9-3-4-14-7-9;1-2/h3-5,7-8H,6H2,1-2H3;2H2,1H3/b11-5-;
InChIKeyQSLHWVJSGQEDIG-JIBDQCPFSA-N
MW242.34 g/mol
LogP2.53
Rot. Bonds3

About methanamine;2-methylpropyl (NZ)-N-(thiophen-3-ylmethylidene)carbamate

methanamine;2-methylpropyl (NZ)-N-(thiophen-3-ylmethylidene)carbamate (PubChem CID 142239486) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is methanamine;2-methylpropyl (NZ)-N-(thiophen-3-ylmethylidene)carbamate.

Molecular Properties

Compound Namemethanamine;2-methylpropyl (NZ)-N-(thiophen-3-ylmethylidene)carbamate
PubChem CID142239486
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Namemethanamine;2-methylpropyl (NZ)-N-(thiophen-3-ylmethylidene)carbamate
SMILESCC(C)COC(=O)/N=C\c1ccsc1.CN
InChIInChI=1S/C10H13NO2S.CH5N/c1-8(2)6-13-10(12)11-5-9-3-4-14-7-9;1-2/h3-5,7-8H,6H2,1-2H3;2H2,1H3/b11-5-;
InChIKeyQSLHWVJSGQEDIG-JIBDQCPFSA-N
XLogP2.53
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methanamine;2-methylpropyl (NZ)-N-(thiophen-3-ylmethylidene)carbamate?
The IUPAC name of methanamine;2-methylpropyl (NZ)-N-(thiophen-3-ylmethylidene)carbamate (CID 142239486) is methanamine;2-methylpropyl (NZ)-N-(thiophen-3-ylmethylidene)carbamate.
What is the SMILES notation for methanamine;2-methylpropyl (NZ)-N-(thiophen-3-ylmethylidene)carbamate?
The canonical SMILES for methanamine;2-methylpropyl (NZ)-N-(thiophen-3-ylmethylidene)carbamate is CC(C)COC(=O)/N=C\c1ccsc1.CN.
What is the InChIKey of methanamine;2-methylpropyl (NZ)-N-(thiophen-3-ylmethylidene)carbamate?
The InChIKey is QSLHWVJSGQEDIG-JIBDQCPFSA-N. The full InChI is InChI=1S/C10H13NO2S.CH5N/c1-8(2)6-13-10(12)11-5-9-3-4-14-7-9;1-2/h3-5,7-8H,6H2,1-2H3;2H2,1H3/b11-5-;.
What are the key properties of methanamine;2-methylpropyl (NZ)-N-(thiophen-3-ylmethylidene)carbamate?
methanamine;2-methylpropyl (NZ)-N-(thiophen-3-ylmethylidene)carbamate has a molecular weight of 242.34 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;2-methylpropyl (NZ)-N-(thiophen-3-ylmethylidene)carbamate is sourced from PubChem (CID 142239486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).