4-(4-aminobutyl)morpholine-2-thiol

C8H18N2OS — CID 123620323

IUPAC4-(4-aminobutyl)morpholine-2-thiol
SMILESNCCCCN1CCOC(S)C1
InChIInChI=1S/C8H18N2OS/c9-3-1-2-4-10-5-6-11-8(12)7-10/h8,12H,1-7,9H2
InChIKeyOVISGFVXFWWFIV-UHFFFAOYSA-N
MW190.31 g/mol
LogP0.31
Rot. Bonds4

About 4-(4-aminobutyl)morpholine-2-thiol

4-(4-aminobutyl)morpholine-2-thiol (PubChem CID 123620323) has the molecular formula C8H18N2OS and a molecular weight of 190.31 g/mol. Its IUPAC name is 4-(4-aminobutyl)morpholine-2-thiol.

Molecular Properties

Compound Name4-(4-aminobutyl)morpholine-2-thiol
PubChem CID123620323
Molecular FormulaC8H18N2OS
Molecular Weight190.31 g/mol
Exact Mass190.11
IUPAC Name4-(4-aminobutyl)morpholine-2-thiol
SMILESNCCCCN1CCOC(S)C1
InChIInChI=1S/C8H18N2OS/c9-3-1-2-4-10-5-6-11-8(12)7-10/h8,12H,1-7,9H2
InChIKeyOVISGFVXFWWFIV-UHFFFAOYSA-N
XLogP0.31
TPSA38.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[4-(4-aminobutyl)morpholin-2-yl]acetate
CID 115533916
7-morpholin-4-ylheptan-1-amine
CID 28596900
hydrazine;5-morpholin-4-ylpentan-1-amine
CID 160561706
3-[2-[(dimethylamino)methyl]morpholin-4-yl]propan-1-amine
CID 83831936
3-[4-(2-fluoroethyl)morpholin-2-yl]propan-1-amine
CID 155354228
(4-dodecylmorpholin-2-yl)methanamine
CID 63486829
1-(4-aminobutyl)pyrrolidin-3-ol
CID 18550500
3-(2-methyl-1,4-oxazepan-4-yl)propan-1-amine
CID 62987056
5-[(3S)-3-fluoropyrrolidin-1-yl]pentan-1-amine;dihydrochloride
CID 45156784
1-(4-aminobutyl)-N,N-dimethylpyrrolidin-3-amine
CID 63166062
4-(2,2-dimethylmorpholin-4-yl)butan-1-amine
CID 43592480
2,2-dimethyl-6-(2-methylmorpholin-4-yl)hexan-1-amine
CID 106707845

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminobutyl)morpholine-2-thiol?
The IUPAC name of 4-(4-aminobutyl)morpholine-2-thiol (CID 123620323) is 4-(4-aminobutyl)morpholine-2-thiol.
What is the SMILES notation for 4-(4-aminobutyl)morpholine-2-thiol?
The canonical SMILES for 4-(4-aminobutyl)morpholine-2-thiol is NCCCCN1CCOC(S)C1.
What is the InChIKey of 4-(4-aminobutyl)morpholine-2-thiol?
The InChIKey is OVISGFVXFWWFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2OS/c9-3-1-2-4-10-5-6-11-8(12)7-10/h8,12H,1-7,9H2.
What are the key properties of 4-(4-aminobutyl)morpholine-2-thiol?
4-(4-aminobutyl)morpholine-2-thiol has a molecular weight of 190.31 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminobutyl)morpholine-2-thiol is sourced from PubChem (CID 123620323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).