4-(aminomethyl)-N-cyclohexyl-N-ethyl-1,1-dioxothian-4-amine

C14H28N2O2S — CID 54982988

IUPAC4-(aminomethyl)-N-cyclohexyl-N-ethyl-1,1-dioxothian-4-amine
SMILESCCN(C1CCCCC1)C1(CN)CCS(=O)(=O)CC1
InChIInChI=1S/C14H28N2O2S/c1-2-16(13-6-4-3-5-7-13)14(12-15)8-10-19(17,18)11-9-14/h13H,2-12,15H2,1H3
InChIKeyNENDROPVNKYVKV-UHFFFAOYSA-N
MW288.46 g/mol
LogP1.55
Rot. Bonds4

About 4-(aminomethyl)-N-cyclohexyl-N-ethyl-1,1-dioxothian-4-amine

4-(aminomethyl)-N-cyclohexyl-N-ethyl-1,1-dioxothian-4-amine (PubChem CID 54982988) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 4-(aminomethyl)-N-cyclohexyl-N-ethyl-1,1-dioxothian-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-cyclohexyl-N-ethyl-1,1-dioxothian-4-amine
PubChem CID54982988
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC Name4-(aminomethyl)-N-cyclohexyl-N-ethyl-1,1-dioxothian-4-amine
SMILESCCN(C1CCCCC1)C1(CN)CCS(=O)(=O)CC1
InChIInChI=1S/C14H28N2O2S/c1-2-16(13-6-4-3-5-7-13)14(12-15)8-10-19(17,18)11-9-14/h13H,2-12,15H2,1H3
InChIKeyNENDROPVNKYVKV-UHFFFAOYSA-N
XLogP1.55
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methyl-1-(2-propylsulfonylethyl)-1,4-diazaspiro[5.5]undecane
CID 71861834
[1-(4-Propylsulfonylpiperazin-1-yl)cyclohexyl]methanamine
CID 58561727
4-(2-Methylpropyl)-4-piperazin-1-ylthiane 1,1-dioxide
CID 59639408
4-(2-Methyl-5-piperazin-1-ylhexan-2-yl)-1,4-thiazinane 1,1-dioxide
CID 166986124
N-tert-butyl-4-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexan-1-amine
CID 172535946
N-[[1-(dimethylamino)cyclohexyl]methyl]-1,1-dioxothian-4-amine
CID 43511576
1-N-(1,1-dioxothian-4-yl)-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43511654
1-N-(1,1-dioxothian-4-yl)-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 43511693
1-N-(1,1-dioxothian-4-yl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
CID 43511694
2-(1,1-Dioxo-1,4-thiazinan-4-yl)-3-ethylpentan-1-amine
CID 43581310
2-Cyclohexyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine
CID 43581311
2-(1,1-Dioxo-1,4-thiazinan-4-yl)-3-methylpentan-1-amine
CID 43581314

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-cyclohexyl-N-ethyl-1,1-dioxothian-4-amine?
The IUPAC name of 4-(aminomethyl)-N-cyclohexyl-N-ethyl-1,1-dioxothian-4-amine (CID 54982988) is 4-(aminomethyl)-N-cyclohexyl-N-ethyl-1,1-dioxothian-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-cyclohexyl-N-ethyl-1,1-dioxothian-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-cyclohexyl-N-ethyl-1,1-dioxothian-4-amine is CCN(C1CCCCC1)C1(CN)CCS(=O)(=O)CC1.
What is the InChIKey of 4-(aminomethyl)-N-cyclohexyl-N-ethyl-1,1-dioxothian-4-amine?
The InChIKey is NENDROPVNKYVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-2-16(13-6-4-3-5-7-13)14(12-15)8-10-19(17,18)11-9-14/h13H,2-12,15H2,1H3.
What are the key properties of 4-(aminomethyl)-N-cyclohexyl-N-ethyl-1,1-dioxothian-4-amine?
4-(aminomethyl)-N-cyclohexyl-N-ethyl-1,1-dioxothian-4-amine has a molecular weight of 288.46 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-cyclohexyl-N-ethyl-1,1-dioxothian-4-amine is sourced from PubChem (CID 54982988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).