4-methyl-N-[2-(3-methylsulfonylthiomorpholin-4-yl)ethyl]pentan-1-amine

C13H28N2O2S2 — CID 66382459

IUPAC4-methyl-N-[2-(3-methylsulfonylthiomorpholin-4-yl)ethyl]pentan-1-amine
SMILESCC(C)CCCNCCN1CCSCC1S(C)(=O)=O
InChIInChI=1S/C13H28N2O2S2/c1-12(2)5-4-6-14-7-8-15-9-10-18-11-13(15)19(3,16)17/h12-14H,4-11H2,1-3H3
InChIKeyVTCYIXUYTDDSCS-UHFFFAOYSA-N
MW308.51 g/mol
LogP1.43
Rot. Bonds8

About 4-methyl-N-[2-(3-methylsulfonylthiomorpholin-4-yl)ethyl]pentan-1-amine

4-methyl-N-[2-(3-methylsulfonylthiomorpholin-4-yl)ethyl]pentan-1-amine (PubChem CID 66382459) has the molecular formula C13H28N2O2S2 and a molecular weight of 308.51 g/mol. Its IUPAC name is 4-methyl-N-[2-(3-methylsulfonylthiomorpholin-4-yl)ethyl]pentan-1-amine.

Molecular Properties

Compound Name4-methyl-N-[2-(3-methylsulfonylthiomorpholin-4-yl)ethyl]pentan-1-amine
PubChem CID66382459
Molecular FormulaC13H28N2O2S2
Molecular Weight308.51 g/mol
Exact Mass308.16
IUPAC Name4-methyl-N-[2-(3-methylsulfonylthiomorpholin-4-yl)ethyl]pentan-1-amine
SMILESCC(C)CCCNCCN1CCSCC1S(C)(=O)=O
InChIInChI=1S/C13H28N2O2S2/c1-12(2)5-4-6-14-7-8-15-9-10-18-11-13(15)19(3,16)17/h12-14H,4-11H2,1-3H3
InChIKeyVTCYIXUYTDDSCS-UHFFFAOYSA-N
XLogP1.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.51
LogP ≤ 51.43
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-[2-(3-methylsulfonylthiomorpholin-4-yl)ethyl]hexan-1-amine
CID 66383426
N-[3-(3-ethylsulfonylthiomorpholin-4-yl)propyl]-2-methylpropan-1-amine
CID 66375791
N-methyl-4-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-amine
CID 66381861
4-(3-bromopropyl)-3-methylsulfonylthiomorpholine
CID 66383009
N-[2-(3-ethylsulfonylthiomorpholin-4-yl)ethyl]-3-methoxypropan-1-amine
CID 66375608
2-(3-methylsulfonylthiomorpholin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 66382265
N-[2-(3-ethylsulfonylthiomorpholin-4-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 66375995
N-tert-butyl-4-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-amine
CID 66384755
N-[4-(3-methylsulfonylthiomorpholin-4-yl)pentyl]cyclopropanamine
CID 66384759
4-(3-ethylsulfonylthiomorpholin-4-yl)-N-(2-methylpropyl)pentan-1-amine
CID 66376758
3-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)butan-2-amine
CID 66381906
3-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylpropan-1-amine
CID 66377525

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(3-methylsulfonylthiomorpholin-4-yl)ethyl]pentan-1-amine?
The IUPAC name of 4-methyl-N-[2-(3-methylsulfonylthiomorpholin-4-yl)ethyl]pentan-1-amine (CID 66382459) is 4-methyl-N-[2-(3-methylsulfonylthiomorpholin-4-yl)ethyl]pentan-1-amine.
What is the SMILES notation for 4-methyl-N-[2-(3-methylsulfonylthiomorpholin-4-yl)ethyl]pentan-1-amine?
The canonical SMILES for 4-methyl-N-[2-(3-methylsulfonylthiomorpholin-4-yl)ethyl]pentan-1-amine is CC(C)CCCNCCN1CCSCC1S(C)(=O)=O.
What is the InChIKey of 4-methyl-N-[2-(3-methylsulfonylthiomorpholin-4-yl)ethyl]pentan-1-amine?
The InChIKey is VTCYIXUYTDDSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S2/c1-12(2)5-4-6-14-7-8-15-9-10-18-11-13(15)19(3,16)17/h12-14H,4-11H2,1-3H3.
What are the key properties of 4-methyl-N-[2-(3-methylsulfonylthiomorpholin-4-yl)ethyl]pentan-1-amine?
4-methyl-N-[2-(3-methylsulfonylthiomorpholin-4-yl)ethyl]pentan-1-amine has a molecular weight of 308.51 g/mol, XLogP of 1.43, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(3-methylsulfonylthiomorpholin-4-yl)ethyl]pentan-1-amine is sourced from PubChem (CID 66382459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).