N-[(1,1-dioxothian-4-yl)methyl]-2-ethylcyclohexan-1-amine

C14H27NO2S — CID 75500184

IUPACN-[(1,1-dioxothian-4-yl)methyl]-2-ethylcyclohexan-1-amine
SMILESCCC1CCCCC1NCC1CCS(=O)(=O)CC1
InChIInChI=1S/C14H27NO2S/c1-2-13-5-3-4-6-14(13)15-11-12-7-9-18(16,17)10-8-12/h12-15H,2-11H2,1H3
InChIKeySVFMSIQKBPIBKH-UHFFFAOYSA-N
MW273.44 g/mol
LogP2.37
Rot. Bonds4

About N-[(1,1-dioxothian-4-yl)methyl]-2-ethylcyclohexan-1-amine

N-[(1,1-dioxothian-4-yl)methyl]-2-ethylcyclohexan-1-amine (PubChem CID 75500184) has the molecular formula C14H27NO2S and a molecular weight of 273.44 g/mol. Its IUPAC name is N-[(1,1-dioxothian-4-yl)methyl]-2-ethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(1,1-dioxothian-4-yl)methyl]-2-ethylcyclohexan-1-amine
PubChem CID75500184
Molecular FormulaC14H27NO2S
Molecular Weight273.44 g/mol
Exact Mass273.18
IUPAC NameN-[(1,1-dioxothian-4-yl)methyl]-2-ethylcyclohexan-1-amine
SMILESCCC1CCCCC1NCC1CCS(=O)(=O)CC1
InChIInChI=1S/C14H27NO2S/c1-2-13-5-3-4-6-14(13)15-11-12-7-9-18(16,17)10-8-12/h12-15H,2-11H2,1H3
InChIKeySVFMSIQKBPIBKH-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-[(4-ethylcyclohexyl)methyl]cyclopentan-1-amine
CID 113483421
4-[[(2-ethylcyclopentyl)amino]methyl]cyclohexan-1-ol
CID 106125475
N-(2-ethylcyclopentyl)-1,1-dioxothiolan-3-amine
CID 115707658
cis-(1R,2R)-2-ethyl-N-[[(2R)-oxolan-2-yl]methyl]cyclohexan-1-amine
CID 124710143
2-ethyl-N-prop-2-enylcyclohexan-1-amine
CID 62142413
(1S)-N-[(1,1-dioxothian-4-yl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 97108411
3-[(2-ethylcyclohexyl)amino]propanamide
CID 61466861
2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-propylcyclohexan-1-amine
CID 62616535
N-[(1,1-dioxothian-4-yl)methyl]pentan-3-amine
CID 115896677
[2-[(4-methylcyclohexyl)methylamino]cyclohexyl]methanol
CID 103872929
N-ethoxy-2-ethylcyclohexan-1-amine
CID 64974958
(1,1-dioxothiepan-4-yl)methylhydrazine
CID 84664356

Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothian-4-yl)methyl]-2-ethylcyclohexan-1-amine?
The IUPAC name of N-[(1,1-dioxothian-4-yl)methyl]-2-ethylcyclohexan-1-amine (CID 75500184) is N-[(1,1-dioxothian-4-yl)methyl]-2-ethylcyclohexan-1-amine.
What is the SMILES notation for N-[(1,1-dioxothian-4-yl)methyl]-2-ethylcyclohexan-1-amine?
The canonical SMILES for N-[(1,1-dioxothian-4-yl)methyl]-2-ethylcyclohexan-1-amine is CCC1CCCCC1NCC1CCS(=O)(=O)CC1.
What is the InChIKey of N-[(1,1-dioxothian-4-yl)methyl]-2-ethylcyclohexan-1-amine?
The InChIKey is SVFMSIQKBPIBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2S/c1-2-13-5-3-4-6-14(13)15-11-12-7-9-18(16,17)10-8-12/h12-15H,2-11H2,1H3.
What are the key properties of N-[(1,1-dioxothian-4-yl)methyl]-2-ethylcyclohexan-1-amine?
N-[(1,1-dioxothian-4-yl)methyl]-2-ethylcyclohexan-1-amine has a molecular weight of 273.44 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxothian-4-yl)methyl]-2-ethylcyclohexan-1-amine is sourced from PubChem (CID 75500184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).