N-(2-methylsulfinylpropyl)-1-propylpiperidin-4-amine

C12H26N2OS — CID 115901563

IUPACN-(2-methylsulfinylpropyl)-1-propylpiperidin-4-amine
SMILESCCCN1CCC(NCC(C)S(C)=O)CC1
InChIInChI=1S/C12H26N2OS/c1-4-7-14-8-5-12(6-9-14)13-10-11(2)16(3)15/h11-13H,4-10H2,1-3H3
InChIKeyDEQXAOYCCFDFFO-UHFFFAOYSA-N
MW246.42 g/mol
LogP1.22
Rot. Bonds6

About N-(2-methylsulfinylpropyl)-1-propylpiperidin-4-amine

N-(2-methylsulfinylpropyl)-1-propylpiperidin-4-amine (PubChem CID 115901563) has the molecular formula C12H26N2OS and a molecular weight of 246.42 g/mol. Its IUPAC name is N-(2-methylsulfinylpropyl)-1-propylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2-methylsulfinylpropyl)-1-propylpiperidin-4-amine
PubChem CID115901563
Molecular FormulaC12H26N2OS
Molecular Weight246.42 g/mol
Exact Mass246.18
IUPAC NameN-(2-methylsulfinylpropyl)-1-propylpiperidin-4-amine
SMILESCCCN1CCC(NCC(C)S(C)=O)CC1
InChIInChI=1S/C12H26N2OS/c1-4-7-14-8-5-12(6-9-14)13-10-11(2)16(3)15/h11-13H,4-10H2,1-3H3
InChIKeyDEQXAOYCCFDFFO-UHFFFAOYSA-N
XLogP1.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-[(1-propylpiperidin-4-yl)amino]pentan-2-ol
CID 103779663
2-N,2-N-dimethyl-1-N-(1-propylazepan-4-yl)propane-1,2-diamine
CID 65073378
N-(3-fluoropropyl)-1-propylpiperidin-4-amine
CID 81106690
N-(2-methoxypropyl)-1-propylazepan-4-amine
CID 102696547
2-methyl-3-[(1-propylazepan-4-yl)amino]propan-1-ol
CID 65078153
4-tert-butyl-N-(2-methylsulfinylpropyl)cyclohexan-1-amine
CID 115763856
N-(2-methylsulfonylethyl)-1-propylpiperidin-4-amine
CID 60920378
3-methyl-4-[(1-propylazepan-4-yl)amino]butan-1-ol
CID 66089662
N-[4-(4-propylpiperazin-1-yl)pentyl]cyclopropanamine
CID 56828316
2-[(1-propylpiperidin-4-yl)amino]ethyl carbamate
CID 83211120
N-(2-methylpropoxy)-1-propylpiperidin-4-amine
CID 82710051
N-[2-(4-propylpiperazin-1-yl)pentyl]cyclopropanamine
CID 83043627

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfinylpropyl)-1-propylpiperidin-4-amine?
The IUPAC name of N-(2-methylsulfinylpropyl)-1-propylpiperidin-4-amine (CID 115901563) is N-(2-methylsulfinylpropyl)-1-propylpiperidin-4-amine.
What is the SMILES notation for N-(2-methylsulfinylpropyl)-1-propylpiperidin-4-amine?
The canonical SMILES for N-(2-methylsulfinylpropyl)-1-propylpiperidin-4-amine is CCCN1CCC(NCC(C)S(C)=O)CC1.
What is the InChIKey of N-(2-methylsulfinylpropyl)-1-propylpiperidin-4-amine?
The InChIKey is DEQXAOYCCFDFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2OS/c1-4-7-14-8-5-12(6-9-14)13-10-11(2)16(3)15/h11-13H,4-10H2,1-3H3.
What are the key properties of N-(2-methylsulfinylpropyl)-1-propylpiperidin-4-amine?
N-(2-methylsulfinylpropyl)-1-propylpiperidin-4-amine has a molecular weight of 246.42 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfinylpropyl)-1-propylpiperidin-4-amine is sourced from PubChem (CID 115901563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).