(2S)-2-methyl-4-(1-pentylsulfonylpiperidin-4-yl)morpholine

C15H30N2O3S — CID 97306295

IUPAC(2S)-2-methyl-4-(1-pentylsulfonylpiperidin-4-yl)morpholine
SMILESCCCCCS(=O)(=O)N1CCC(N2CCO[C@@H](C)C2)CC1
InChIInChI=1S/C15H30N2O3S/c1-3-4-5-12-21(18,19)17-8-6-15(7-9-17)16-10-11-20-14(2)13-16/h14-15H,3-13H2,1-2H3/t14-/m0/s1
InChIKeyUMYRWSKEQXQTDH-AWEZNQCLSA-N
MW318.48 g/mol
LogP1.69
Rot. Bonds6

About (2S)-2-methyl-4-(1-pentylsulfonylpiperidin-4-yl)morpholine

(2S)-2-methyl-4-(1-pentylsulfonylpiperidin-4-yl)morpholine (PubChem CID 97306295) has the molecular formula C15H30N2O3S and a molecular weight of 318.48 g/mol. Its IUPAC name is (2S)-2-methyl-4-(1-pentylsulfonylpiperidin-4-yl)morpholine.

Molecular Properties

Compound Name(2S)-2-methyl-4-(1-pentylsulfonylpiperidin-4-yl)morpholine
PubChem CID97306295
Molecular FormulaC15H30N2O3S
Molecular Weight318.48 g/mol
Exact Mass318.20
IUPAC Name(2S)-2-methyl-4-(1-pentylsulfonylpiperidin-4-yl)morpholine
SMILESCCCCCS(=O)(=O)N1CCC(N2CCO[C@@H](C)C2)CC1
InChIInChI=1S/C15H30N2O3S/c1-3-4-5-12-21(18,19)17-8-6-15(7-9-17)16-10-11-20-14(2)13-16/h14-15H,3-13H2,1-2H3/t14-/m0/s1
InChIKeyUMYRWSKEQXQTDH-AWEZNQCLSA-N
XLogP1.69
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.48
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-4-cyclopentyl-2-methylmorpholine
CID 131183036
(4aS,8aR)-6-pentylsulfonyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine
CID 124734107
4-methyl-6-pentylsulfonyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 75522292
1-pentylsulfonylpyrrolidine-3-carboxylic acid
CID 122068573
2-(bromomethyl)-4-butylsulfonylmorpholine
CID 81212170
(2S)-4-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidin-4-yl]-2-methylmorpholine
CID 51957354
1-methyl-4-octadecylsulfonylpiperazine
CID 68601760
morpholin-4-yl-[(3R)-1-(1-propylsulfonylpiperidin-4-yl)piperidin-3-yl]methanone
CID 96573725
2-methyl-4-[1-(2-methylsulfonylphenyl)piperidin-4-yl]morpholine
CID 84596072
4-(2-methoxyethylsulfonyl)-2-methylmorpholine
CID 110310083
1-pentyl-4-pentylsulfonylpiperazine
CID 86969430
1-butylsulfonylpyrrolidin-3-amine;hydrochloride
CID 119971586

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-4-(1-pentylsulfonylpiperidin-4-yl)morpholine?
The IUPAC name of (2S)-2-methyl-4-(1-pentylsulfonylpiperidin-4-yl)morpholine (CID 97306295) is (2S)-2-methyl-4-(1-pentylsulfonylpiperidin-4-yl)morpholine.
What is the SMILES notation for (2S)-2-methyl-4-(1-pentylsulfonylpiperidin-4-yl)morpholine?
The canonical SMILES for (2S)-2-methyl-4-(1-pentylsulfonylpiperidin-4-yl)morpholine is CCCCCS(=O)(=O)N1CCC(N2CCO[C@@H](C)C2)CC1.
What is the InChIKey of (2S)-2-methyl-4-(1-pentylsulfonylpiperidin-4-yl)morpholine?
The InChIKey is UMYRWSKEQXQTDH-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H30N2O3S/c1-3-4-5-12-21(18,19)17-8-6-15(7-9-17)16-10-11-20-14(2)13-16/h14-15H,3-13H2,1-2H3/t14-/m0/s1.
What are the key properties of (2S)-2-methyl-4-(1-pentylsulfonylpiperidin-4-yl)morpholine?
(2S)-2-methyl-4-(1-pentylsulfonylpiperidin-4-yl)morpholine has a molecular weight of 318.48 g/mol, XLogP of 1.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-4-(1-pentylsulfonylpiperidin-4-yl)morpholine is sourced from PubChem (CID 97306295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).