N-[3-(3-ethylsulfonylthiomorpholin-4-yl)propyl]cyclohexanamine

C15H30N2O2S2 — CID 66377931

IUPACN-[3-(3-ethylsulfonylthiomorpholin-4-yl)propyl]cyclohexanamine
SMILESCCS(=O)(=O)C1CSCCN1CCCNC1CCCCC1
InChIInChI=1S/C15H30N2O2S2/c1-2-21(18,19)15-13-20-12-11-17(15)10-6-9-16-14-7-4-3-5-8-14/h14-16H,2-13H2,1H3
InChIKeyFKSXANYVEOHLLC-UHFFFAOYSA-N
MW334.55 g/mol
LogP2.11
Rot. Bonds7

About N-[3-(3-ethylsulfonylthiomorpholin-4-yl)propyl]cyclohexanamine

N-[3-(3-ethylsulfonylthiomorpholin-4-yl)propyl]cyclohexanamine (PubChem CID 66377931) has the molecular formula C15H30N2O2S2 and a molecular weight of 334.55 g/mol. Its IUPAC name is N-[3-(3-ethylsulfonylthiomorpholin-4-yl)propyl]cyclohexanamine.

Molecular Properties

Compound NameN-[3-(3-ethylsulfonylthiomorpholin-4-yl)propyl]cyclohexanamine
PubChem CID66377931
Molecular FormulaC15H30N2O2S2
Molecular Weight334.55 g/mol
Exact Mass334.17
IUPAC NameN-[3-(3-ethylsulfonylthiomorpholin-4-yl)propyl]cyclohexanamine
SMILESCCS(=O)(=O)C1CSCCN1CCCNC1CCCCC1
InChIInChI=1S/C15H30N2O2S2/c1-2-21(18,19)15-13-20-12-11-17(15)10-6-9-16-14-7-4-3-5-8-14/h14-16H,2-13H2,1H3
InChIKeyFKSXANYVEOHLLC-UHFFFAOYSA-N
XLogP2.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.55
LogP ≤ 52.11
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

3-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylpropan-1-amine
CID 66377525
4-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylbutan-1-amine
CID 66377349
4-(4-chlorobutyl)-3-ethylsulfonylthiomorpholine
CID 66378289
6-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylhexan-1-amine
CID 66375798
6-(3-ethylsulfonylthiomorpholin-4-yl)-N-propan-2-ylhexan-1-amine
CID 66378310
N-[3-(3-ethylsulfonylthiomorpholin-4-yl)propyl]-2-methylpropan-1-amine
CID 66375791
4-(2-bromoethyl)-3-ethylsulfonylthiomorpholine
CID 66375585
4-(2-chloroethyl)-3-ethylsulfonylthiomorpholine
CID 66378487
3-ethylsulfonyl-4-(3-pyrrolidin-2-ylpropyl)thiomorpholine
CID 66382743
3-(3-ethylsulfonylthiomorpholin-4-yl)propanamide
CID 66377719
N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexanamine
CID 43178283
N-[2-(3-ethylsulfonylthiomorpholin-4-yl)ethyl]-3-methoxypropan-1-amine
CID 66375608

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-ethylsulfonylthiomorpholin-4-yl)propyl]cyclohexanamine?
The IUPAC name of N-[3-(3-ethylsulfonylthiomorpholin-4-yl)propyl]cyclohexanamine (CID 66377931) is N-[3-(3-ethylsulfonylthiomorpholin-4-yl)propyl]cyclohexanamine.
What is the SMILES notation for N-[3-(3-ethylsulfonylthiomorpholin-4-yl)propyl]cyclohexanamine?
The canonical SMILES for N-[3-(3-ethylsulfonylthiomorpholin-4-yl)propyl]cyclohexanamine is CCS(=O)(=O)C1CSCCN1CCCNC1CCCCC1.
What is the InChIKey of N-[3-(3-ethylsulfonylthiomorpholin-4-yl)propyl]cyclohexanamine?
The InChIKey is FKSXANYVEOHLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2S2/c1-2-21(18,19)15-13-20-12-11-17(15)10-6-9-16-14-7-4-3-5-8-14/h14-16H,2-13H2,1H3.
What are the key properties of N-[3-(3-ethylsulfonylthiomorpholin-4-yl)propyl]cyclohexanamine?
N-[3-(3-ethylsulfonylthiomorpholin-4-yl)propyl]cyclohexanamine has a molecular weight of 334.55 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-ethylsulfonylthiomorpholin-4-yl)propyl]cyclohexanamine is sourced from PubChem (CID 66377931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).