N-(2-methylthian-3-yl)-1-propylpiperidin-4-amine

C14H28N2S — CID 79956542

IUPACN-(2-methylthian-3-yl)-1-propylpiperidin-4-amine
SMILESCCCN1CCC(NC2CCCSC2C)CC1
InChIInChI=1S/C14H28N2S/c1-3-8-16-9-6-13(7-10-16)15-14-5-4-11-17-12(14)2/h12-15H,3-11H2,1-2H3
InChIKeyIPFFEBAOLDCGCO-UHFFFAOYSA-N
MW256.46 g/mol
LogP2.73
Rot. Bonds4

About N-(2-methylthian-3-yl)-1-propylpiperidin-4-amine

N-(2-methylthian-3-yl)-1-propylpiperidin-4-amine (PubChem CID 79956542) has the molecular formula C14H28N2S and a molecular weight of 256.46 g/mol. Its IUPAC name is N-(2-methylthian-3-yl)-1-propylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2-methylthian-3-yl)-1-propylpiperidin-4-amine
PubChem CID79956542
Molecular FormulaC14H28N2S
Molecular Weight256.46 g/mol
Exact Mass256.20
IUPAC NameN-(2-methylthian-3-yl)-1-propylpiperidin-4-amine
SMILESCCCN1CCC(NC2CCCSC2C)CC1
InChIInChI=1S/C14H28N2S/c1-3-8-16-9-6-13(7-10-16)15-14-5-4-11-17-12(14)2/h12-15H,3-11H2,1-2H3
InChIKeyIPFFEBAOLDCGCO-UHFFFAOYSA-N
XLogP2.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylcyclohexyl)-1-propylazepan-4-amine
CID 65073049
N-(2-methyloxolan-3-yl)-1-propylpiperidin-4-amine
CID 115335615
N-(3-ethyl-2-methylcyclopentyl)-1-propylazepan-4-amine
CID 65078150
1-ethyl-N-(2-methylthiolan-3-yl)piperidin-3-amine
CID 102671684
N-(1,1-dioxothian-4-yl)-2-methylthian-3-amine
CID 79957007
3-[(1-propylpiperidin-4-yl)amino]cyclohexan-1-ol
CID 43751171
N-(2-adamantyl)-1-propylpiperidin-4-amine
CID 782242
2-methyl-N-(3-piperidin-1-ylpropyl)thian-3-amine
CID 79956996
N-(3-methylcyclohexyl)-1-propylazepan-4-amine
CID 65074489
N-methyl-1-propylazepan-4-amine
CID 65072873
N-(3,4-dimethylcyclohexyl)-1-propylazepan-4-amine
CID 65078643
1-N-(1-propylpiperidin-4-yl)cyclohexane-1,3-diamine
CID 79458358

Frequently Asked Questions

What is the IUPAC name of N-(2-methylthian-3-yl)-1-propylpiperidin-4-amine?
The IUPAC name of N-(2-methylthian-3-yl)-1-propylpiperidin-4-amine (CID 79956542) is N-(2-methylthian-3-yl)-1-propylpiperidin-4-amine.
What is the SMILES notation for N-(2-methylthian-3-yl)-1-propylpiperidin-4-amine?
The canonical SMILES for N-(2-methylthian-3-yl)-1-propylpiperidin-4-amine is CCCN1CCC(NC2CCCSC2C)CC1.
What is the InChIKey of N-(2-methylthian-3-yl)-1-propylpiperidin-4-amine?
The InChIKey is IPFFEBAOLDCGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2S/c1-3-8-16-9-6-13(7-10-16)15-14-5-4-11-17-12(14)2/h12-15H,3-11H2,1-2H3.
What are the key properties of N-(2-methylthian-3-yl)-1-propylpiperidin-4-amine?
N-(2-methylthian-3-yl)-1-propylpiperidin-4-amine has a molecular weight of 256.46 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylthian-3-yl)-1-propylpiperidin-4-amine is sourced from PubChem (CID 79956542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).