N-[3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]propyl]thiophene-2-carboxamide

C16H26N2O2S — CID 75471381

IUPACN-[3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]propyl]thiophene-2-carboxamide
SMILESCC1(C)CC(NCCCNC(=O)c2cccs2)C(C)(C)O1
InChIInChI=1S/C16H26N2O2S/c1-15(2)11-13(16(3,4)20-15)17-8-6-9-18-14(19)12-7-5-10-21-12/h5,7,10,13,17H,6,8-9,11H2,1-4H3,(H,18,19)
InChIKeyFKFSICKSZNVOHT-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.80
Rot. Bonds6

About N-[3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]propyl]thiophene-2-carboxamide

N-[3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]propyl]thiophene-2-carboxamide (PubChem CID 75471381) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-[3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]propyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]propyl]thiophene-2-carboxamide
PubChem CID75471381
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-[3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]propyl]thiophene-2-carboxamide
SMILESCC1(C)CC(NCCCNC(=O)c2cccs2)C(C)(C)O1
InChIInChI=1S/C16H26N2O2S/c1-15(2)11-13(16(3,4)20-15)17-8-6-9-18-14(19)12-7-5-10-21-12/h5,7,10,13,17H,6,8-9,11H2,1-4H3,(H,18,19)
InChIKeyFKFSICKSZNVOHT-UHFFFAOYSA-N
XLogP2.80
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.80
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

5-(acetamidomethyl)-N-[3-(thiophene-2-carbonylamino)propyl]thiophene-2-carboxamide
CID 60610459
methyl 4-(thiophene-2-carbonylamino)butanoate
CID 60645503
4-(thiophene-2-carbonylamino)butanoic acid
CID 3149370
2,2,5,5-tetramethyl-N-[3-(thiophene-2-carbonylamino)propyl]-1H-pyrrole-3-carboxamide;hydrochloride
CID 14306891
N-[3-[[2-(1-hydroxycyclopentyl)acetyl]amino]propyl]thiophene-2-carboxamide
CID 111430825
N-[3-[[N-(2-methoxyethyl)-N'-methylcarbamimidoyl]amino]propyl]thiophene-2-carboxamide
CID 110941288
3-(thiophene-2-carbonylamino)propyl acetate
CID 84560045
N-(3-amino-3-oxopropyl)thiophene-2-carboxamide
CID 43236649
N-[4-(cyclopropylamino)-4-oxobutyl]thiophene-2-carboxamide
CID 51180198
N-[3-[[N'-methyl-N-(thiophen-2-ylmethyl)carbamimidoyl]amino]propyl]thiophene-2-carboxamide
CID 111257915
N-hex-5-ynylthiophene-2-carboxamide
CID 103758137
N-(2-aminoethyl)thiophene-2-carboxamide
CID 4649097

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]propyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]propyl]thiophene-2-carboxamide (CID 75471381) is N-[3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]propyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]propyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]propyl]thiophene-2-carboxamide is CC1(C)CC(NCCCNC(=O)c2cccs2)C(C)(C)O1.
What is the InChIKey of N-[3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]propyl]thiophene-2-carboxamide?
The InChIKey is FKFSICKSZNVOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-15(2)11-13(16(3,4)20-15)17-8-6-9-18-14(19)12-7-5-10-21-12/h5,7,10,13,17H,6,8-9,11H2,1-4H3,(H,18,19).
What are the key properties of N-[3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]propyl]thiophene-2-carboxamide?
N-[3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]propyl]thiophene-2-carboxamide has a molecular weight of 310.46 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]propyl]thiophene-2-carboxamide is sourced from PubChem (CID 75471381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).