6-(3-ethylsulfonylthiomorpholin-4-yl)-N-propan-2-ylhexan-1-amine

C15H32N2O2S2 — CID 66378310

IUPAC6-(3-ethylsulfonylthiomorpholin-4-yl)-N-propan-2-ylhexan-1-amine
SMILESCCS(=O)(=O)C1CSCCN1CCCCCCNC(C)C
InChIInChI=1S/C15H32N2O2S2/c1-4-21(18,19)15-13-20-12-11-17(15)10-8-6-5-7-9-16-14(2)3/h14-16H,4-13H2,1-3H3
InChIKeyAJNROCGEDUYCMJ-UHFFFAOYSA-N
MW336.57 g/mol
LogP2.35
Rot. Bonds10

About 6-(3-ethylsulfonylthiomorpholin-4-yl)-N-propan-2-ylhexan-1-amine

6-(3-ethylsulfonylthiomorpholin-4-yl)-N-propan-2-ylhexan-1-amine (PubChem CID 66378310) has the molecular formula C15H32N2O2S2 and a molecular weight of 336.57 g/mol. Its IUPAC name is 6-(3-ethylsulfonylthiomorpholin-4-yl)-N-propan-2-ylhexan-1-amine.

Molecular Properties

Compound Name6-(3-ethylsulfonylthiomorpholin-4-yl)-N-propan-2-ylhexan-1-amine
PubChem CID66378310
Molecular FormulaC15H32N2O2S2
Molecular Weight336.57 g/mol
Exact Mass336.19
IUPAC Name6-(3-ethylsulfonylthiomorpholin-4-yl)-N-propan-2-ylhexan-1-amine
SMILESCCS(=O)(=O)C1CSCCN1CCCCCCNC(C)C
InChIInChI=1S/C15H32N2O2S2/c1-4-21(18,19)15-13-20-12-11-17(15)10-8-6-5-7-9-16-14(2)3/h14-16H,4-13H2,1-3H3
InChIKeyAJNROCGEDUYCMJ-UHFFFAOYSA-N
XLogP2.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.57
LogP ≤ 52.35
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

6-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylhexan-1-amine
CID 66375798
4-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylbutan-1-amine
CID 66377349
N-[3-(3-ethylsulfonylthiomorpholin-4-yl)propyl]-2-methylpropan-1-amine
CID 66375791
3-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylpropan-1-amine
CID 66377525
4-(4-chlorobutyl)-3-ethylsulfonylthiomorpholine
CID 66378289
N-[3-(3-ethylsulfonylthiomorpholin-4-yl)propyl]cyclohexanamine
CID 66377931
1-(3-ethylsulfonylthiomorpholin-4-yl)-3-(propan-2-ylamino)propan-1-one
CID 66378127
1-(3-ethylsulfonylthiomorpholin-4-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol
CID 66383135
4-(2-bromoethyl)-3-ethylsulfonylthiomorpholine
CID 66375585
4-(2-chloroethyl)-3-ethylsulfonylthiomorpholine
CID 66378487
1-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylpropan-2-amine
CID 66375830
3-(3-ethylsulfonylthiomorpholin-4-yl)propanamide
CID 66377719

Frequently Asked Questions

What is the IUPAC name of 6-(3-ethylsulfonylthiomorpholin-4-yl)-N-propan-2-ylhexan-1-amine?
The IUPAC name of 6-(3-ethylsulfonylthiomorpholin-4-yl)-N-propan-2-ylhexan-1-amine (CID 66378310) is 6-(3-ethylsulfonylthiomorpholin-4-yl)-N-propan-2-ylhexan-1-amine.
What is the SMILES notation for 6-(3-ethylsulfonylthiomorpholin-4-yl)-N-propan-2-ylhexan-1-amine?
The canonical SMILES for 6-(3-ethylsulfonylthiomorpholin-4-yl)-N-propan-2-ylhexan-1-amine is CCS(=O)(=O)C1CSCCN1CCCCCCNC(C)C.
What is the InChIKey of 6-(3-ethylsulfonylthiomorpholin-4-yl)-N-propan-2-ylhexan-1-amine?
The InChIKey is AJNROCGEDUYCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2S2/c1-4-21(18,19)15-13-20-12-11-17(15)10-8-6-5-7-9-16-14(2)3/h14-16H,4-13H2,1-3H3.
What are the key properties of 6-(3-ethylsulfonylthiomorpholin-4-yl)-N-propan-2-ylhexan-1-amine?
6-(3-ethylsulfonylthiomorpholin-4-yl)-N-propan-2-ylhexan-1-amine has a molecular weight of 336.57 g/mol, XLogP of 2.35, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethylsulfonylthiomorpholin-4-yl)-N-propan-2-ylhexan-1-amine is sourced from PubChem (CID 66378310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).