N-[2-(azepan-1-yl)ethyl]-2-methylthiolan-3-amine

C13H26N2S — CID 102671482

IUPACN-[2-(azepan-1-yl)ethyl]-2-methylthiolan-3-amine
SMILESCC1SCCC1NCCN1CCCCCC1
InChIInChI=1S/C13H26N2S/c1-12-13(6-11-16-12)14-7-10-15-8-4-2-3-5-9-15/h12-14H,2-11H2,1H3
InChIKeyKFTQTLQXHQGJIN-UHFFFAOYSA-N
MW242.43 g/mol
LogP2.35
Rot. Bonds4

About N-[2-(azepan-1-yl)ethyl]-2-methylthiolan-3-amine

N-[2-(azepan-1-yl)ethyl]-2-methylthiolan-3-amine (PubChem CID 102671482) has the molecular formula C13H26N2S and a molecular weight of 242.43 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)ethyl]-2-methylthiolan-3-amine.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)ethyl]-2-methylthiolan-3-amine
PubChem CID102671482
Molecular FormulaC13H26N2S
Molecular Weight242.43 g/mol
Exact Mass242.18
IUPAC NameN-[2-(azepan-1-yl)ethyl]-2-methylthiolan-3-amine
SMILESCC1SCCC1NCCN1CCCCCC1
InChIInChI=1S/C13H26N2S/c1-12-13(6-11-16-12)14-7-10-15-8-4-2-3-5-9-15/h12-14H,2-11H2,1H3
InChIKeyKFTQTLQXHQGJIN-UHFFFAOYSA-N
XLogP2.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(3-piperidin-1-ylpropyl)thian-3-amine
CID 79956996
trans-(1R,2R)-2-methyl-N-(2-piperidin-1-ylethyl)cyclopentan-1-amine
CID 96923223
2-methyl-N-(2-methylsulfinylethyl)thiolan-3-amine
CID 102672329
N-[2-(azepan-1-yl)ethyl]thian-4-amine
CID 60751888
N-[2-(azepan-1-yl)ethyl]cyclopropanamine
CID 54773126
2-methyl-N-(2-thiomorpholin-4-ylethyl)cyclohexan-1-amine
CID 62573622
N-(2-pyrrolidin-1-ylethyl)cyclohexanamine
CID 43181622
2,6-dimethyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine
CID 43181585
2-methyl-N-[(2-methylcyclopropyl)methyl]thiolan-3-amine
CID 102671571
N-but-3-ynyl-2-methylthian-3-amine
CID 79957686
(3S)-N-(2-piperidin-1-ylethyl)thiolan-3-amine
CID 758325
1,2,5-trimethyl-N-(2-piperidin-1-ylethyl)piperidin-4-amine
CID 54967617

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)ethyl]-2-methylthiolan-3-amine?
The IUPAC name of N-[2-(azepan-1-yl)ethyl]-2-methylthiolan-3-amine (CID 102671482) is N-[2-(azepan-1-yl)ethyl]-2-methylthiolan-3-amine.
What is the SMILES notation for N-[2-(azepan-1-yl)ethyl]-2-methylthiolan-3-amine?
The canonical SMILES for N-[2-(azepan-1-yl)ethyl]-2-methylthiolan-3-amine is CC1SCCC1NCCN1CCCCCC1.
What is the InChIKey of N-[2-(azepan-1-yl)ethyl]-2-methylthiolan-3-amine?
The InChIKey is KFTQTLQXHQGJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2S/c1-12-13(6-11-16-12)14-7-10-15-8-4-2-3-5-9-15/h12-14H,2-11H2,1H3.
What are the key properties of N-[2-(azepan-1-yl)ethyl]-2-methylthiolan-3-amine?
N-[2-(azepan-1-yl)ethyl]-2-methylthiolan-3-amine has a molecular weight of 242.43 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)ethyl]-2-methylthiolan-3-amine is sourced from PubChem (CID 102671482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).