N-[[4-(3-methylsulfonyl-2-pyridinyl)morpholin-3-yl]methyl]propan-1-amine

C14H23N3O3S — CID 114599597

IUPACN-[[4-(3-methylsulfonyl-2-pyridinyl)morpholin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1COCCN1c1ncccc1S(C)(=O)=O
InChIInChI=1S/C14H23N3O3S/c1-3-6-15-10-12-11-20-9-8-17(12)14-13(21(2,18)19)5-4-7-16-14/h4-5,7,12,15H,3,6,8-11H2,1-2H3
InChIKeyKLNVAFDLKYXASI-UHFFFAOYSA-N
MW313.42 g/mol
LogP0.69
Rot. Bonds6

About N-[[4-(3-methylsulfonyl-2-pyridinyl)morpholin-3-yl]methyl]propan-1-amine

N-[[4-(3-methylsulfonyl-2-pyridinyl)morpholin-3-yl]methyl]propan-1-amine (PubChem CID 114599597) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-[[4-(3-methylsulfonyl-2-pyridinyl)morpholin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-(3-methylsulfonyl-2-pyridinyl)morpholin-3-yl]methyl]propan-1-amine
PubChem CID114599597
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC NameN-[[4-(3-methylsulfonyl-2-pyridinyl)morpholin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1COCCN1c1ncccc1S(C)(=O)=O
InChIInChI=1S/C14H23N3O3S/c1-3-6-15-10-12-11-20-9-8-17(12)14-13(21(2,18)19)5-4-7-16-14/h4-5,7,12,15H,3,6,8-11H2,1-2H3
InChIKeyKLNVAFDLKYXASI-UHFFFAOYSA-N
XLogP0.69
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-methylsulfonyl-2-pyridinyl)morpholin-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[4-(3-methylsulfonyl-2-pyridinyl)morpholin-3-yl]methyl]propan-1-amine (CID 114599597) is N-[[4-(3-methylsulfonyl-2-pyridinyl)morpholin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-(3-methylsulfonyl-2-pyridinyl)morpholin-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-(3-methylsulfonyl-2-pyridinyl)morpholin-3-yl]methyl]propan-1-amine is CCCNCC1COCCN1c1ncccc1S(C)(=O)=O.
What is the InChIKey of N-[[4-(3-methylsulfonyl-2-pyridinyl)morpholin-3-yl]methyl]propan-1-amine?
The InChIKey is KLNVAFDLKYXASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-3-6-15-10-12-11-20-9-8-17(12)14-13(21(2,18)19)5-4-7-16-14/h4-5,7,12,15H,3,6,8-11H2,1-2H3.
What are the key properties of N-[[4-(3-methylsulfonyl-2-pyridinyl)morpholin-3-yl]methyl]propan-1-amine?
N-[[4-(3-methylsulfonyl-2-pyridinyl)morpholin-3-yl]methyl]propan-1-amine has a molecular weight of 313.42 g/mol, XLogP of 0.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-methylsulfonyl-2-pyridinyl)morpholin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 114599597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).