N-[3-(cyclopropylmethoxy)propyl]-2,2-dimethylthiomorpholine-4-carboxamide

C14H26N2O2S — CID 71859654

IUPACN-[3-(cyclopropylmethoxy)propyl]-2,2-dimethylthiomorpholine-4-carboxamide
SMILESCC1(C)CN(C(=O)NCCCOCC2CC2)CCS1
InChIInChI=1S/C14H26N2O2S/c1-14(2)11-16(7-9-19-14)13(17)15-6-3-8-18-10-12-4-5-12/h12H,3-11H2,1-2H3,(H,15,17)
InChIKeyQIMNPBMMYVNVIJ-UHFFFAOYSA-N
MW286.44 g/mol
LogP2.34
Rot. Bonds6

About N-[3-(cyclopropylmethoxy)propyl]-2,2-dimethylthiomorpholine-4-carboxamide

N-[3-(cyclopropylmethoxy)propyl]-2,2-dimethylthiomorpholine-4-carboxamide (PubChem CID 71859654) has the molecular formula C14H26N2O2S and a molecular weight of 286.44 g/mol. Its IUPAC name is N-[3-(cyclopropylmethoxy)propyl]-2,2-dimethylthiomorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropylmethoxy)propyl]-2,2-dimethylthiomorpholine-4-carboxamide
PubChem CID71859654
Molecular FormulaC14H26N2O2S
Molecular Weight286.44 g/mol
Exact Mass286.17
IUPAC NameN-[3-(cyclopropylmethoxy)propyl]-2,2-dimethylthiomorpholine-4-carboxamide
SMILESCC1(C)CN(C(=O)NCCCOCC2CC2)CCS1
InChIInChI=1S/C14H26N2O2S/c1-14(2)11-16(7-9-19-14)13(17)15-6-3-8-18-10-12-4-5-12/h12H,3-11H2,1-2H3,(H,15,17)
InChIKeyQIMNPBMMYVNVIJ-UHFFFAOYSA-N
XLogP2.34
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-2,2-dimethylthiomorpholine-4-carboxamide?
The IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-2,2-dimethylthiomorpholine-4-carboxamide (CID 71859654) is N-[3-(cyclopropylmethoxy)propyl]-2,2-dimethylthiomorpholine-4-carboxamide.
What is the SMILES notation for N-[3-(cyclopropylmethoxy)propyl]-2,2-dimethylthiomorpholine-4-carboxamide?
The canonical SMILES for N-[3-(cyclopropylmethoxy)propyl]-2,2-dimethylthiomorpholine-4-carboxamide is CC1(C)CN(C(=O)NCCCOCC2CC2)CCS1.
What is the InChIKey of N-[3-(cyclopropylmethoxy)propyl]-2,2-dimethylthiomorpholine-4-carboxamide?
The InChIKey is QIMNPBMMYVNVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S/c1-14(2)11-16(7-9-19-14)13(17)15-6-3-8-18-10-12-4-5-12/h12H,3-11H2,1-2H3,(H,15,17).
What are the key properties of N-[3-(cyclopropylmethoxy)propyl]-2,2-dimethylthiomorpholine-4-carboxamide?
N-[3-(cyclopropylmethoxy)propyl]-2,2-dimethylthiomorpholine-4-carboxamide has a molecular weight of 286.44 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylmethoxy)propyl]-2,2-dimethylthiomorpholine-4-carboxamide is sourced from PubChem (CID 71859654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).