N-propyl-5-thiomorpholin-4-ylpentan-1-amine

C12H26N2S — CID 62417898

IUPACN-propyl-5-thiomorpholin-4-ylpentan-1-amine
SMILESCCCNCCCCCN1CCSCC1
InChIInChI=1S/C12H26N2S/c1-2-6-13-7-4-3-5-8-14-9-11-15-12-10-14/h13H,2-12H2,1H3
InChIKeyQOKJDWWNBNKTLI-UHFFFAOYSA-N
MW230.42 g/mol
LogP2.21
Rot. Bonds8

About N-propyl-5-thiomorpholin-4-ylpentan-1-amine

N-propyl-5-thiomorpholin-4-ylpentan-1-amine (PubChem CID 62417898) has the molecular formula C12H26N2S and a molecular weight of 230.42 g/mol. Its IUPAC name is N-propyl-5-thiomorpholin-4-ylpentan-1-amine.

Molecular Properties

Compound NameN-propyl-5-thiomorpholin-4-ylpentan-1-amine
PubChem CID62417898
Molecular FormulaC12H26N2S
Molecular Weight230.42 g/mol
Exact Mass230.18
IUPAC NameN-propyl-5-thiomorpholin-4-ylpentan-1-amine
SMILESCCCNCCCCCN1CCSCC1
InChIInChI=1S/C12H26N2S/c1-2-6-13-7-4-3-5-8-14-9-11-15-12-10-14/h13H,2-12H2,1H3
InChIKeyQOKJDWWNBNKTLI-UHFFFAOYSA-N
XLogP2.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-propyl-5-(1,4-thiazepan-4-yl)pentan-1-amine
CID 62412587
N-propyl-3-thiomorpholin-4-ylpropan-1-amine
CID 61386591
4-piperidin-1-yl-N-propylbutan-1-amine
CID 62425057
5-morpholin-4-yl-N-propylpentan-1-amine
CID 62437718
5-(4,4-dimethylpiperidin-1-yl)-N-propylpentan-1-amine
CID 62930314
N-[2-(1,4-thiazepan-4-yl)ethyl]butan-1-amine
CID 62557597
6-(4,4-dimethylazepan-1-yl)-N-propylhexan-1-amine
CID 65286566
N-propan-2-yl-4-thiomorpholin-4-ylbutan-1-amine
CID 60851852
N-(3-pyrrolidin-1-ylpropyl)heptan-1-amine
CID 43130243
N-pentyl-6-piperazin-1-ylhexan-1-amine
CID 54403619
5-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-propylpentan-1-amine
CID 55073746
3-(4-butylpiperazin-1-yl)-N-[3-(4-butylpiperazin-1-yl)propyl]propan-1-amine
CID 69028178

Frequently Asked Questions

What is the IUPAC name of N-propyl-5-thiomorpholin-4-ylpentan-1-amine?
The IUPAC name of N-propyl-5-thiomorpholin-4-ylpentan-1-amine (CID 62417898) is N-propyl-5-thiomorpholin-4-ylpentan-1-amine.
What is the SMILES notation for N-propyl-5-thiomorpholin-4-ylpentan-1-amine?
The canonical SMILES for N-propyl-5-thiomorpholin-4-ylpentan-1-amine is CCCNCCCCCN1CCSCC1.
What is the InChIKey of N-propyl-5-thiomorpholin-4-ylpentan-1-amine?
The InChIKey is QOKJDWWNBNKTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2S/c1-2-6-13-7-4-3-5-8-14-9-11-15-12-10-14/h13H,2-12H2,1H3.
What are the key properties of N-propyl-5-thiomorpholin-4-ylpentan-1-amine?
N-propyl-5-thiomorpholin-4-ylpentan-1-amine has a molecular weight of 230.42 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-5-thiomorpholin-4-ylpentan-1-amine is sourced from PubChem (CID 62417898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).