N-[[1-(dimethylamino)cyclohexyl]methyl]thiolan-3-amine

C13H26N2S — CID 43180773

IUPACN-[[1-(dimethylamino)cyclohexyl]methyl]thiolan-3-amine
SMILESCN(C)C1(CNC2CCSC2)CCCCC1
InChIInChI=1S/C13H26N2S/c1-15(2)13(7-4-3-5-8-13)11-14-12-6-9-16-10-12/h12,14H,3-11H2,1-2H3
InChIKeySDBZGJBTMBLUNL-UHFFFAOYSA-N
MW242.43 g/mol
LogP2.35
Rot. Bonds4

About N-[[1-(dimethylamino)cyclohexyl]methyl]thiolan-3-amine

N-[[1-(dimethylamino)cyclohexyl]methyl]thiolan-3-amine (PubChem CID 43180773) has the molecular formula C13H26N2S and a molecular weight of 242.43 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclohexyl]methyl]thiolan-3-amine.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclohexyl]methyl]thiolan-3-amine
PubChem CID43180773
Molecular FormulaC13H26N2S
Molecular Weight242.43 g/mol
Exact Mass242.18
IUPAC NameN-[[1-(dimethylamino)cyclohexyl]methyl]thiolan-3-amine
SMILESCN(C)C1(CNC2CCSC2)CCCCC1
InChIInChI=1S/C13H26N2S/c1-15(2)13(7-4-3-5-8-13)11-14-12-6-9-16-10-12/h12,14H,3-11H2,1-2H3
InChIKeySDBZGJBTMBLUNL-UHFFFAOYSA-N
XLogP2.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclohexyl]methyl]thiolan-3-amine?
The IUPAC name of N-[[1-(dimethylamino)cyclohexyl]methyl]thiolan-3-amine (CID 43180773) is N-[[1-(dimethylamino)cyclohexyl]methyl]thiolan-3-amine.
What is the SMILES notation for N-[[1-(dimethylamino)cyclohexyl]methyl]thiolan-3-amine?
The canonical SMILES for N-[[1-(dimethylamino)cyclohexyl]methyl]thiolan-3-amine is CN(C)C1(CNC2CCSC2)CCCCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclohexyl]methyl]thiolan-3-amine?
The InChIKey is SDBZGJBTMBLUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2S/c1-15(2)13(7-4-3-5-8-13)11-14-12-6-9-16-10-12/h12,14H,3-11H2,1-2H3.
What are the key properties of N-[[1-(dimethylamino)cyclohexyl]methyl]thiolan-3-amine?
N-[[1-(dimethylamino)cyclohexyl]methyl]thiolan-3-amine has a molecular weight of 242.43 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclohexyl]methyl]thiolan-3-amine is sourced from PubChem (CID 43180773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).