N-propyl-3-thiomorpholin-4-ylpropan-1-amine

C10H22N2S — CID 61386591

IUPACN-propyl-3-thiomorpholin-4-ylpropan-1-amine
SMILESCCCNCCCN1CCSCC1
InChIInChI=1S/C10H22N2S/c1-2-4-11-5-3-6-12-7-9-13-10-8-12/h11H,2-10H2,1H3
InChIKeyDZLDQDKMLOICPR-UHFFFAOYSA-N
MW202.37 g/mol
LogP1.42
Rot. Bonds6

About N-propyl-3-thiomorpholin-4-ylpropan-1-amine

N-propyl-3-thiomorpholin-4-ylpropan-1-amine (PubChem CID 61386591) has the molecular formula C10H22N2S and a molecular weight of 202.37 g/mol. Its IUPAC name is N-propyl-3-thiomorpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-propyl-3-thiomorpholin-4-ylpropan-1-amine
PubChem CID61386591
Molecular FormulaC10H22N2S
Molecular Weight202.37 g/mol
Exact Mass202.15
IUPAC NameN-propyl-3-thiomorpholin-4-ylpropan-1-amine
SMILESCCCNCCCN1CCSCC1
InChIInChI=1S/C10H22N2S/c1-2-4-11-5-3-6-12-7-9-13-10-8-12/h11H,2-10H2,1H3
InChIKeyDZLDQDKMLOICPR-UHFFFAOYSA-N
XLogP1.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 51.42
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-thiomorpholin-4-ylpentan-1-amine
CID 62417898
N-propyl-5-(1,4-thiazepan-4-yl)pentan-1-amine
CID 62412587
N-[2-(1,4-thiazepan-4-yl)ethyl]butan-1-amine
CID 62557597
3-(4-butylpiperazin-1-yl)-N-[3-(4-butylpiperazin-1-yl)propyl]propan-1-amine
CID 69028178
4-piperidin-1-yl-N-propylbutan-1-amine
CID 62425057
3-(4-propan-2-ylpiperazin-1-yl)-N-propylpropan-1-amine
CID 61387216
3-(4-ethyl-4-methylpiperidin-1-yl)-N-propylpropan-1-amine
CID 63160587
N-(3-pyrrolidin-1-ylpropyl)heptan-1-amine
CID 43130243
5-morpholin-4-yl-N-propylpentan-1-amine
CID 62437718
N-propyl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine
CID 63009499
3-(3,6-dihydro-2H-pyridin-1-yl)-N-propylpropan-1-amine
CID 114412953
5-(4,4-dimethylpiperidin-1-yl)-N-propylpentan-1-amine
CID 62930314

Frequently Asked Questions

What is the IUPAC name of N-propyl-3-thiomorpholin-4-ylpropan-1-amine?
The IUPAC name of N-propyl-3-thiomorpholin-4-ylpropan-1-amine (CID 61386591) is N-propyl-3-thiomorpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-propyl-3-thiomorpholin-4-ylpropan-1-amine?
The canonical SMILES for N-propyl-3-thiomorpholin-4-ylpropan-1-amine is CCCNCCCN1CCSCC1.
What is the InChIKey of N-propyl-3-thiomorpholin-4-ylpropan-1-amine?
The InChIKey is DZLDQDKMLOICPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2S/c1-2-4-11-5-3-6-12-7-9-13-10-8-12/h11H,2-10H2,1H3.
What are the key properties of N-propyl-3-thiomorpholin-4-ylpropan-1-amine?
N-propyl-3-thiomorpholin-4-ylpropan-1-amine has a molecular weight of 202.37 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-thiomorpholin-4-ylpropan-1-amine is sourced from PubChem (CID 61386591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).