N-(thiolan-3-ylmethyl)morpholin-4-amine

C9H18N2OS — CID 107132352

IUPACN-(thiolan-3-ylmethyl)morpholin-4-amine
SMILESC1CN(NCC2CCSC2)CCO1
InChIInChI=1S/C9H18N2OS/c1-6-13-8-9(1)7-10-11-2-4-12-5-3-11/h9-10H,1-8H2
InChIKeyKFXLUCGCYWAODW-UHFFFAOYSA-N
MW202.32 g/mol
LogP0.58
Rot. Bonds3

About N-(thiolan-3-ylmethyl)morpholin-4-amine

N-(thiolan-3-ylmethyl)morpholin-4-amine (PubChem CID 107132352) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is N-(thiolan-3-ylmethyl)morpholin-4-amine.

Molecular Properties

Compound NameN-(thiolan-3-ylmethyl)morpholin-4-amine
PubChem CID107132352
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC NameN-(thiolan-3-ylmethyl)morpholin-4-amine
SMILESC1CN(NCC2CCSC2)CCO1
InChIInChI=1S/C9H18N2OS/c1-6-13-8-9(1)7-10-11-2-4-12-5-3-11/h9-10H,1-8H2
InChIKeyKFXLUCGCYWAODW-UHFFFAOYSA-N
XLogP0.58
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-methylthiolan-3-yl)morpholin-4-amine
CID 83009243
N-(3-methylsulfanylpropyl)morpholin-4-amine
CID 83009390
N-(thiolan-3-yl)morpholin-4-amine
CID 83011287
N-[3-(aminomethyl)thiolan-3-yl]morpholin-4-amine
CID 83014409
N-[3-(aminomethyl)-5-methylthiolan-3-yl]morpholin-4-amine
CID 83014422
N-(4-methylsulfanylbutyl)morpholin-4-amine
CID 103088329
3-morpholin-4-yl-N-(thiolan-3-ylmethyl)propan-1-amine
CID 104433838
N-morpholin-4-yl-1-(thiolan-3-yl)ethane-1,2-diamine
CID 107132849
N-(2-methylthiolan-3-yl)morpholin-4-amine
CID 108423885
N-[3-(aminomethyl)-2-methylthiolan-3-yl]morpholin-4-amine
CID 108424330
N-(3-ethylsulfanylpropyl)morpholin-4-amine
CID 116095266
4-ethylsulfanyl-2-N-morpholin-4-ylbutane-1,2-diamine
CID 116504224

Frequently Asked Questions

What is the IUPAC name of N-(thiolan-3-ylmethyl)morpholin-4-amine?
The IUPAC name of N-(thiolan-3-ylmethyl)morpholin-4-amine (CID 107132352) is N-(thiolan-3-ylmethyl)morpholin-4-amine.
What is the SMILES notation for N-(thiolan-3-ylmethyl)morpholin-4-amine?
The canonical SMILES for N-(thiolan-3-ylmethyl)morpholin-4-amine is C1CN(NCC2CCSC2)CCO1.
What is the InChIKey of N-(thiolan-3-ylmethyl)morpholin-4-amine?
The InChIKey is KFXLUCGCYWAODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS/c1-6-13-8-9(1)7-10-11-2-4-12-5-3-11/h9-10H,1-8H2.
What are the key properties of N-(thiolan-3-ylmethyl)morpholin-4-amine?
N-(thiolan-3-ylmethyl)morpholin-4-amine has a molecular weight of 202.32 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiolan-3-ylmethyl)morpholin-4-amine is sourced from PubChem (CID 107132352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).