[3-(1,4-oxazepan-4-yl)thiolan-3-yl]methanamine

C10H20N2OS — CID 62986906

IUPAC[3-(1,4-oxazepan-4-yl)thiolan-3-yl]methanamine
SMILESNCC1(N2CCCOCC2)CCSC1
InChIInChI=1S/C10H20N2OS/c11-8-10(2-7-14-9-10)12-3-1-5-13-6-4-12/h1-9,11H2
InChIKeyXAONILNYNJLERB-UHFFFAOYSA-N
MW216.35 g/mol
LogP0.54
Rot. Bonds2

About [3-(1,4-oxazepan-4-yl)thiolan-3-yl]methanamine

[3-(1,4-oxazepan-4-yl)thiolan-3-yl]methanamine (PubChem CID 62986906) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is [3-(1,4-oxazepan-4-yl)thiolan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(1,4-oxazepan-4-yl)thiolan-3-yl]methanamine
PubChem CID62986906
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name[3-(1,4-oxazepan-4-yl)thiolan-3-yl]methanamine
SMILESNCC1(N2CCCOCC2)CCSC1
InChIInChI=1S/C10H20N2OS/c11-8-10(2-7-14-9-10)12-3-1-5-13-6-4-12/h1-9,11H2
InChIKeyXAONILNYNJLERB-UHFFFAOYSA-N
XLogP0.54
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-(Morpholin-4-yl)thiolan-3-yl)methanamine
CID 24694541
[(3S)-3-morpholin-4-ylthiolan-3-yl]methanamine
CID 28181142
[(3R)-3-morpholin-4-ylthiolan-3-yl]methanamine
CID 28181144
[3-(Morpholin-4-yl)thiolan-3-yl]methanamine hydrochloride
CID 42948044
[3-(3-Methylmorpholin-4-yl)thiolan-3-yl]methanamine
CID 43541939
3-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)thiolan-3-amine
CID 54985668
3-(aminomethyl)-N-(2-methoxyethyl)-N-pentan-3-ylthiolan-3-amine
CID 55004112
3-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)thiolan-3-amine
CID 55004774
3-(aminomethyl)-N,N-bis(2-methoxyethyl)thiolan-3-amine
CID 60894219
3-(aminomethyl)-N-(2-methoxyethyl)-N-methylthiolan-3-amine
CID 61427635
[3-(3,3-Dimethylmorpholin-4-yl)thiolan-3-yl]methanamine
CID 61429921
3-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)thiolan-3-amine
CID 61448042

Frequently Asked Questions

What is the IUPAC name of [3-(1,4-oxazepan-4-yl)thiolan-3-yl]methanamine?
The IUPAC name of [3-(1,4-oxazepan-4-yl)thiolan-3-yl]methanamine (CID 62986906) is [3-(1,4-oxazepan-4-yl)thiolan-3-yl]methanamine.
What is the SMILES notation for [3-(1,4-oxazepan-4-yl)thiolan-3-yl]methanamine?
The canonical SMILES for [3-(1,4-oxazepan-4-yl)thiolan-3-yl]methanamine is NCC1(N2CCCOCC2)CCSC1.
What is the InChIKey of [3-(1,4-oxazepan-4-yl)thiolan-3-yl]methanamine?
The InChIKey is XAONILNYNJLERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c11-8-10(2-7-14-9-10)12-3-1-5-13-6-4-12/h1-9,11H2.
What are the key properties of [3-(1,4-oxazepan-4-yl)thiolan-3-yl]methanamine?
[3-(1,4-oxazepan-4-yl)thiolan-3-yl]methanamine has a molecular weight of 216.35 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,4-oxazepan-4-yl)thiolan-3-yl]methanamine is sourced from PubChem (CID 62986906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).