N-[cyclohexyl-(1,1-dioxothian-2-yl)methyl]ethanamine

C14H27NO2S — CID 114981214

IUPACN-[cyclohexyl-(1,1-dioxothian-2-yl)methyl]ethanamine
SMILESCCNC(C1CCCCC1)C1CCCCS1(=O)=O
InChIInChI=1S/C14H27NO2S/c1-2-15-14(12-8-4-3-5-9-12)13-10-6-7-11-18(13,16)17/h12-15H,2-11H2,1H3
InChIKeyYFUOBVGWFAVREP-UHFFFAOYSA-N
MW273.44 g/mol
LogP2.51
Rot. Bonds4

About N-[cyclohexyl-(1,1-dioxothian-2-yl)methyl]ethanamine

N-[cyclohexyl-(1,1-dioxothian-2-yl)methyl]ethanamine (PubChem CID 114981214) has the molecular formula C14H27NO2S and a molecular weight of 273.44 g/mol. Its IUPAC name is N-[cyclohexyl-(1,1-dioxothian-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclohexyl-(1,1-dioxothian-2-yl)methyl]ethanamine
PubChem CID114981214
Molecular FormulaC14H27NO2S
Molecular Weight273.44 g/mol
Exact Mass273.18
IUPAC NameN-[cyclohexyl-(1,1-dioxothian-2-yl)methyl]ethanamine
SMILESCCNC(C1CCCCC1)C1CCCCS1(=O)=O
InChIInChI=1S/C14H27NO2S/c1-2-15-14(12-8-4-3-5-9-12)13-10-6-7-11-18(13,16)17/h12-15H,2-11H2,1H3
InChIKeyYFUOBVGWFAVREP-UHFFFAOYSA-N
XLogP2.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[cyclohexyl-(1,1-dioxothian-2-yl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1,1-dioxothian-2-yl)-(oxan-3-yl)methyl]ethanamine
CID 107138862
1-(1,1-dioxothian-2-yl)-N-ethyloctan-1-amine
CID 115832238
N-[(4-bromophenyl)-(1,1-dioxothian-2-yl)methyl]ethanamine
CID 104518569
N-[cycloheptyl-(4-ethylcyclohexyl)methyl]ethanamine
CID 65399653
N-[3-bicyclo[3.1.0]hexanyl(cyclohexyl)methyl]ethanamine
CID 114981006
N-[cyclohexyl-(2-methylcyclopropyl)methyl]ethanamine
CID 65420198
1-(1,1-dioxothian-2-yl)-3-methyl-N-propylbut-2-en-1-amine
CID 105004857
1-(1,1-dioxothian-2-yl)-N-methyldecan-1-amine
CID 115831653
N-[cyclopentyl-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 115779057
N-[(2,5-dimethylthiophen-3-yl)-(1,1-dioxothian-2-yl)methyl]ethanamine
CID 104518620
N-[(1,1-dioxothian-2-yl)-(2-methoxyphenyl)methyl]ethanamine
CID 115792931
1-(1,1-dioxothian-2-yl)-2-methylbutan-1-ol
CID 115823354

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl-(1,1-dioxothian-2-yl)methyl]ethanamine?
The IUPAC name of N-[cyclohexyl-(1,1-dioxothian-2-yl)methyl]ethanamine (CID 114981214) is N-[cyclohexyl-(1,1-dioxothian-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[cyclohexyl-(1,1-dioxothian-2-yl)methyl]ethanamine?
The canonical SMILES for N-[cyclohexyl-(1,1-dioxothian-2-yl)methyl]ethanamine is CCNC(C1CCCCC1)C1CCCCS1(=O)=O.
What is the InChIKey of N-[cyclohexyl-(1,1-dioxothian-2-yl)methyl]ethanamine?
The InChIKey is YFUOBVGWFAVREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2S/c1-2-15-14(12-8-4-3-5-9-12)13-10-6-7-11-18(13,16)17/h12-15H,2-11H2,1H3.
What are the key properties of N-[cyclohexyl-(1,1-dioxothian-2-yl)methyl]ethanamine?
N-[cyclohexyl-(1,1-dioxothian-2-yl)methyl]ethanamine has a molecular weight of 273.44 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl-(1,1-dioxothian-2-yl)methyl]ethanamine is sourced from PubChem (CID 114981214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).