4-(3-ethylsulfonylthiomorpholin-4-yl)-N-(2-methylpropyl)pentan-1-amine

C15H32N2O2S2 — CID 66376758

IUPAC4-(3-ethylsulfonylthiomorpholin-4-yl)-N-(2-methylpropyl)pentan-1-amine
SMILESCCS(=O)(=O)C1CSCCN1C(C)CCCNCC(C)C
InChIInChI=1S/C15H32N2O2S2/c1-5-21(18,19)15-12-20-10-9-17(15)14(4)7-6-8-16-11-13(2)3/h13-16H,5-12H2,1-4H3
InChIKeyYVBMDQLCGITHBK-UHFFFAOYSA-N
MW336.57 g/mol
LogP2.21
Rot. Bonds9

About 4-(3-ethylsulfonylthiomorpholin-4-yl)-N-(2-methylpropyl)pentan-1-amine

4-(3-ethylsulfonylthiomorpholin-4-yl)-N-(2-methylpropyl)pentan-1-amine (PubChem CID 66376758) has the molecular formula C15H32N2O2S2 and a molecular weight of 336.57 g/mol. Its IUPAC name is 4-(3-ethylsulfonylthiomorpholin-4-yl)-N-(2-methylpropyl)pentan-1-amine.

Molecular Properties

Compound Name4-(3-ethylsulfonylthiomorpholin-4-yl)-N-(2-methylpropyl)pentan-1-amine
PubChem CID66376758
Molecular FormulaC15H32N2O2S2
Molecular Weight336.57 g/mol
Exact Mass336.19
IUPAC Name4-(3-ethylsulfonylthiomorpholin-4-yl)-N-(2-methylpropyl)pentan-1-amine
SMILESCCS(=O)(=O)C1CSCCN1C(C)CCCNCC(C)C
InChIInChI=1S/C15H32N2O2S2/c1-5-21(18,19)15-12-20-10-9-17(15)14(4)7-6-8-16-11-13(2)3/h13-16H,5-12H2,1-4H3
InChIKeyYVBMDQLCGITHBK-UHFFFAOYSA-N
XLogP2.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.57
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3-ethylsulfonylthiomorpholin-4-yl)propyl]-2-methylpropan-1-amine
CID 66375791
2-(3-ethylsulfonylthiomorpholin-4-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 66375986
N-methyl-4-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-amine
CID 66381861
N-[4-(3-methylsulfonylthiomorpholin-4-yl)pentyl]cyclopropanamine
CID 66384759
N-tert-butyl-4-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-amine
CID 66384755
3-(3-methylsulfonylthiomorpholin-4-yl)-N-propan-2-ylbutan-1-amine
CID 66382063
2-(3-ethylsulfonylthiomorpholin-4-yl)propanehydrazide
CID 66377938
2-(3-ethylsulfonylthiomorpholin-4-yl)-3-methoxy-N-propylpropan-1-amine
CID 103226872
N-(2-methylpropyl)-4-thiomorpholin-4-ylpentan-1-amine
CID 62417518
ethyl 2-(3-ethylsulfonylthiomorpholin-4-yl)propanoate
CID 66378086
2-(3-ethylsulfonylthiomorpholin-4-yl)-N-(furan-2-ylmethyl)propan-1-amine
CID 66375609
4-methyl-N-[2-(3-methylsulfonylthiomorpholin-4-yl)ethyl]pentan-1-amine
CID 66382459

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylsulfonylthiomorpholin-4-yl)-N-(2-methylpropyl)pentan-1-amine?
The IUPAC name of 4-(3-ethylsulfonylthiomorpholin-4-yl)-N-(2-methylpropyl)pentan-1-amine (CID 66376758) is 4-(3-ethylsulfonylthiomorpholin-4-yl)-N-(2-methylpropyl)pentan-1-amine.
What is the SMILES notation for 4-(3-ethylsulfonylthiomorpholin-4-yl)-N-(2-methylpropyl)pentan-1-amine?
The canonical SMILES for 4-(3-ethylsulfonylthiomorpholin-4-yl)-N-(2-methylpropyl)pentan-1-amine is CCS(=O)(=O)C1CSCCN1C(C)CCCNCC(C)C.
What is the InChIKey of 4-(3-ethylsulfonylthiomorpholin-4-yl)-N-(2-methylpropyl)pentan-1-amine?
The InChIKey is YVBMDQLCGITHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2S2/c1-5-21(18,19)15-12-20-10-9-17(15)14(4)7-6-8-16-11-13(2)3/h13-16H,5-12H2,1-4H3.
What are the key properties of 4-(3-ethylsulfonylthiomorpholin-4-yl)-N-(2-methylpropyl)pentan-1-amine?
4-(3-ethylsulfonylthiomorpholin-4-yl)-N-(2-methylpropyl)pentan-1-amine has a molecular weight of 336.57 g/mol, XLogP of 2.21, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylsulfonylthiomorpholin-4-yl)-N-(2-methylpropyl)pentan-1-amine is sourced from PubChem (CID 66376758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).