4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-propylcyclohexan-1-amine

C12H24N2O2S — CID 43653701

IUPAC4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(N2CCCS2(=O)=O)CC1
InChIInChI=1S/C12H24N2O2S/c1-2-8-13-11-4-6-12(7-5-11)14-9-3-10-17(14,15)16/h11-13H,2-10H2,1H3
InChIKeyBHRJQURWTBDMBI-UHFFFAOYSA-N
MW260.40 g/mol
LogP1.33
Rot. Bonds4

About 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-propylcyclohexan-1-amine

4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-propylcyclohexan-1-amine (PubChem CID 43653701) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-propylcyclohexan-1-amine
PubChem CID43653701
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(N2CCCS2(=O)=O)CC1
InChIInChI=1S/C12H24N2O2S/c1-2-8-13-11-4-6-12(7-5-11)14-9-3-10-17(14,15)16/h11-13H,2-10H2,1H3
InChIKeyBHRJQURWTBDMBI-UHFFFAOYSA-N
XLogP1.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-N-propylcyclohexan-1-amine
CID 79580707
1-(1,1-dioxothiolan-3-yl)-N-propylpiperidin-4-amine
CID 43315218
1-[4-(propylamino)cyclohexyl]piperidine-2,6-dione
CID 43653820
1-[4-(propylamino)cyclohexyl]pyrrolidine-2,5-dione
CID 43653818
4-(2-methylazetidin-1-yl)-N-propylcyclohexan-1-amine
CID 79686955
4-(4-propan-2-ylazepan-1-yl)-N-propylcyclohexan-1-amine
CID 114763375
4-(3-methylazetidin-1-yl)-N-propylcyclohexan-1-amine
CID 79687379
4-(4-ethylazepan-1-yl)-N-propylcyclohexan-1-amine
CID 114763370
4-(2-azaspiro[3.3]heptan-2-yl)-N-propylcyclohexan-1-amine
CID 79687378
N-methyl-1-[4-(propylamino)cyclohexyl]pyrrolidine-2-carboxamide
CID 114763027
3-(4-methyl-1,4-diazepan-1-yl)-N-propylcyclopentan-1-amine
CID 79642937
4-(4,4-diethylpiperidin-1-yl)-N-propylcyclohexan-1-amine
CID 114763283

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-propylcyclohexan-1-amine?
The IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-propylcyclohexan-1-amine (CID 43653701) is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-propylcyclohexan-1-amine.
What is the SMILES notation for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-propylcyclohexan-1-amine?
The canonical SMILES for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-propylcyclohexan-1-amine is CCCNC1CCC(N2CCCS2(=O)=O)CC1.
What is the InChIKey of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-propylcyclohexan-1-amine?
The InChIKey is BHRJQURWTBDMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-2-8-13-11-4-6-12(7-5-11)14-9-3-10-17(14,15)16/h11-13H,2-10H2,1H3.
What are the key properties of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-propylcyclohexan-1-amine?
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-propylcyclohexan-1-amine has a molecular weight of 260.40 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-propylcyclohexan-1-amine is sourced from PubChem (CID 43653701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).