7-amino-N-(2-methoxyethyl)-N-(thiolan-3-yl)heptanamide

C14H28N2O2S — CID 54871392

IUPAC7-amino-N-(2-methoxyethyl)-N-(thiolan-3-yl)heptanamide
SMILESCOCCN(C(=O)CCCCCCN)C1CCSC1
InChIInChI=1S/C14H28N2O2S/c1-18-10-9-16(13-7-11-19-12-13)14(17)6-4-2-3-5-8-15/h13H,2-12,15H2,1H3
InChIKeySGFBBPLXMYDHFN-UHFFFAOYSA-N
MW288.46 g/mol
LogP1.88
Rot. Bonds10

About 7-amino-N-(2-methoxyethyl)-N-(thiolan-3-yl)heptanamide

7-amino-N-(2-methoxyethyl)-N-(thiolan-3-yl)heptanamide (PubChem CID 54871392) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 7-amino-N-(2-methoxyethyl)-N-(thiolan-3-yl)heptanamide.

Molecular Properties

Compound Name7-amino-N-(2-methoxyethyl)-N-(thiolan-3-yl)heptanamide
PubChem CID54871392
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC Name7-amino-N-(2-methoxyethyl)-N-(thiolan-3-yl)heptanamide
SMILESCOCCN(C(=O)CCCCCCN)C1CCSC1
InChIInChI=1S/C14H28N2O2S/c1-18-10-9-16(13-7-11-19-12-13)14(17)6-4-2-3-5-8-15/h13H,2-12,15H2,1H3
InChIKeySGFBBPLXMYDHFN-UHFFFAOYSA-N
XLogP1.88
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[2-methoxyethyl(thiolan-3-yl)amino]-5-oxopentanoic acid
CID 54875063
2-amino-2-cyclopropyl-N-(2-methoxyethyl)-N-(thiolan-3-yl)propanamide
CID 54871455
2-(azetidin-3-yl)-N-(2-methoxyethyl)-N-(thiolan-3-yl)acetamide
CID 64612000
(2R)-2-amino-N-(2-methoxyethyl)-3-methyl-N-(thiolan-3-yl)butanamide
CID 79013230
2-(2-aminophenyl)-N-(2-methoxyethyl)-N-(thiolan-3-yl)acetamide
CID 61106399
N-cyclopropyl-4-hydroxy-N-(2-methoxyethyl)butanamide
CID 79203731
3-[2-methoxyethyl(thiolan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550350
5-[2-methoxyethyl(thiolan-3-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102688134
(2S)-N-(2-methoxyethyl)-N-(thiolan-3-yl)pyrrolidine-2-carboxamide
CID 61163362
6-amino-N-cyclopropyl-N-(3-methylbutyl)hexanamide
CID 54870672
7-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]heptanamide
CID 60954276
N'-methyl-N'-(thiolan-3-yl)butane-1,4-diamine
CID 43296813

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(2-methoxyethyl)-N-(thiolan-3-yl)heptanamide?
The IUPAC name of 7-amino-N-(2-methoxyethyl)-N-(thiolan-3-yl)heptanamide (CID 54871392) is 7-amino-N-(2-methoxyethyl)-N-(thiolan-3-yl)heptanamide.
What is the SMILES notation for 7-amino-N-(2-methoxyethyl)-N-(thiolan-3-yl)heptanamide?
The canonical SMILES for 7-amino-N-(2-methoxyethyl)-N-(thiolan-3-yl)heptanamide is COCCN(C(=O)CCCCCCN)C1CCSC1.
What is the InChIKey of 7-amino-N-(2-methoxyethyl)-N-(thiolan-3-yl)heptanamide?
The InChIKey is SGFBBPLXMYDHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-18-10-9-16(13-7-11-19-12-13)14(17)6-4-2-3-5-8-15/h13H,2-12,15H2,1H3.
What are the key properties of 7-amino-N-(2-methoxyethyl)-N-(thiolan-3-yl)heptanamide?
7-amino-N-(2-methoxyethyl)-N-(thiolan-3-yl)heptanamide has a molecular weight of 288.46 g/mol, XLogP of 1.88, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(2-methoxyethyl)-N-(thiolan-3-yl)heptanamide is sourced from PubChem (CID 54871392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).