(3-morpholin-4-ylthiolan-3-yl)methanamine;hydrochloride

C9H19ClN2OS — CID 42948044

IUPAC(3-morpholin-4-ylthiolan-3-yl)methanamine;hydrochloride
SMILESCl.NCC1(N2CCOCC2)CCSC1
InChIInChI=1S/C9H18N2OS.ClH/c10-7-9(1-6-13-8-9)11-2-4-12-5-3-11;/h1-8,10H2;1H
InChIKeyKPNOMYZJIFJUPD-UHFFFAOYSA-N
MW238.78 g/mol
LogP0.57
Rot. Bonds2

About (3-morpholin-4-ylthiolan-3-yl)methanamine;hydrochloride

(3-morpholin-4-ylthiolan-3-yl)methanamine;hydrochloride (PubChem CID 42948044) has the molecular formula C9H19ClN2OS and a molecular weight of 238.78 g/mol. Its IUPAC name is (3-morpholin-4-ylthiolan-3-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(3-morpholin-4-ylthiolan-3-yl)methanamine;hydrochloride
PubChem CID42948044
Molecular FormulaC9H19ClN2OS
Molecular Weight238.78 g/mol
Exact Mass238.09
IUPAC Name(3-morpholin-4-ylthiolan-3-yl)methanamine;hydrochloride
SMILESCl.NCC1(N2CCOCC2)CCSC1
InChIInChI=1S/C9H18N2OS.ClH/c10-7-9(1-6-13-8-9)11-2-4-12-5-3-11;/h1-8,10H2;1H
InChIKeyKPNOMYZJIFJUPD-UHFFFAOYSA-N
XLogP0.57
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.78
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(1,4-oxazepan-4-yl)thian-3-yl]methanamine
CID 62986373
[3-(azepan-1-yl)thiolan-3-yl]methanamine
CID 24710395
[3-(2-methylmorpholin-4-yl)thiolan-3-yl]methanamine
CID 24697033
[3-(4-ethylpiperazin-1-yl)thiolan-3-yl]methanamine
CID 24697068
[3-(4,4-diethylpiperidin-1-yl)thiolan-3-yl]methanamine
CID 55165075
1-amino-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119862780
[3-(4-methylsulfonylpiperazin-1-yl)thiolan-3-yl]methanamine
CID 62993774
(4,4-dimethyl-3-morpholin-4-ylthian-3-yl)methanamine
CID 79948892
3-amino-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]butanamide;dihydrochloride
CID 119862806
N'-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]piperidine-1-carboximidamide
CID 97311105
2-amino-2-methyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]propanamide
CID 119862763
[5,5-dimethyl-3-(1,4-oxazepan-4-yl)thian-3-yl]methanamine
CID 79958271

Frequently Asked Questions

What is the IUPAC name of (3-morpholin-4-ylthiolan-3-yl)methanamine;hydrochloride?
The IUPAC name of (3-morpholin-4-ylthiolan-3-yl)methanamine;hydrochloride (CID 42948044) is (3-morpholin-4-ylthiolan-3-yl)methanamine;hydrochloride.
What is the SMILES notation for (3-morpholin-4-ylthiolan-3-yl)methanamine;hydrochloride?
The canonical SMILES for (3-morpholin-4-ylthiolan-3-yl)methanamine;hydrochloride is Cl.NCC1(N2CCOCC2)CCSC1.
What is the InChIKey of (3-morpholin-4-ylthiolan-3-yl)methanamine;hydrochloride?
The InChIKey is KPNOMYZJIFJUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS.ClH/c10-7-9(1-6-13-8-9)11-2-4-12-5-3-11;/h1-8,10H2;1H.
What are the key properties of (3-morpholin-4-ylthiolan-3-yl)methanamine;hydrochloride?
(3-morpholin-4-ylthiolan-3-yl)methanamine;hydrochloride has a molecular weight of 238.78 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-morpholin-4-ylthiolan-3-yl)methanamine;hydrochloride is sourced from PubChem (CID 42948044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).