4-(2-aminoethyl)-N-(thiolan-3-yl)heptanamide

C13H26N2OS — CID 103063122

IUPAC4-(2-aminoethyl)-N-(thiolan-3-yl)heptanamide
SMILESCCCC(CCN)CCC(=O)NC1CCSC1
InChIInChI=1S/C13H26N2OS/c1-2-3-11(6-8-14)4-5-13(16)15-12-7-9-17-10-12/h11-12H,2-10,14H2,1H3,(H,15,16)
InChIKeyGPFYMWFDUUAZMK-UHFFFAOYSA-N
MW258.43 g/mol
LogP2.15
Rot. Bonds8

About 4-(2-aminoethyl)-N-(thiolan-3-yl)heptanamide

4-(2-aminoethyl)-N-(thiolan-3-yl)heptanamide (PubChem CID 103063122) has the molecular formula C13H26N2OS and a molecular weight of 258.43 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-(thiolan-3-yl)heptanamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-(thiolan-3-yl)heptanamide
PubChem CID103063122
Molecular FormulaC13H26N2OS
Molecular Weight258.43 g/mol
Exact Mass258.18
IUPAC Name4-(2-aminoethyl)-N-(thiolan-3-yl)heptanamide
SMILESCCCC(CCN)CCC(=O)NC1CCSC1
InChIInChI=1S/C13H26N2OS/c1-2-3-11(6-8-14)4-5-13(16)15-12-7-9-17-10-12/h11-12H,2-10,14H2,1H3,(H,15,16)
InChIKeyGPFYMWFDUUAZMK-UHFFFAOYSA-N
XLogP2.15
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-N-(thiolan-3-yl)pentanamide
CID 103064924
4-(2-aminoethyl)-N-[4-(cyclopropylamino)-4-oxobutyl]heptanamide
CID 79376552
3-amino-N-(thiolan-3-yl)butanamide
CID 103811759
6-amino-4,4-dimethyl-N-(thiolan-3-yl)hexanamide
CID 103063106
2-[4-(2-aminoethyl)heptanoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82763950
6-amino-N-[(1R)-1-cyclopentylethyl]-4-ethylhexanamide
CID 81390852
1-(aminomethyl)-N-(thiolan-3-yl)cyclopropane-1-carboxamide
CID 103063036
(2S)-2-amino-3-methyl-N-[2-oxo-2-(thiolan-3-ylamino)ethyl]butanamide
CID 113345692
4-amino-N-(thian-4-yl)butanamide;hydrochloride
CID 119313242
3-amino-3-sulfanylidene-N-(thiolan-3-yl)propanamide
CID 103063158
4-(2-aminoethyl)-1-cyclohexylheptan-1-one
CID 116582773
2-cyclopropyl-N-(thiolan-3-yl)propanamide
CID 127000268

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-(thiolan-3-yl)heptanamide?
The IUPAC name of 4-(2-aminoethyl)-N-(thiolan-3-yl)heptanamide (CID 103063122) is 4-(2-aminoethyl)-N-(thiolan-3-yl)heptanamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-(thiolan-3-yl)heptanamide?
The canonical SMILES for 4-(2-aminoethyl)-N-(thiolan-3-yl)heptanamide is CCCC(CCN)CCC(=O)NC1CCSC1.
What is the InChIKey of 4-(2-aminoethyl)-N-(thiolan-3-yl)heptanamide?
The InChIKey is GPFYMWFDUUAZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2OS/c1-2-3-11(6-8-14)4-5-13(16)15-12-7-9-17-10-12/h11-12H,2-10,14H2,1H3,(H,15,16).
What are the key properties of 4-(2-aminoethyl)-N-(thiolan-3-yl)heptanamide?
4-(2-aminoethyl)-N-(thiolan-3-yl)heptanamide has a molecular weight of 258.43 g/mol, XLogP of 2.15, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-(thiolan-3-yl)heptanamide is sourced from PubChem (CID 103063122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).