N-heptan-4-yl-1-methylsulfonylpiperidin-4-amine

C13H28N2O2S — CID 43628807

IUPACN-heptan-4-yl-1-methylsulfonylpiperidin-4-amine
SMILESCCCC(CCC)NC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C13H28N2O2S/c1-4-6-12(7-5-2)14-13-8-10-15(11-9-13)18(3,16)17/h12-14H,4-11H2,1-3H3
InChIKeyZUBHDYVRSAQKMJ-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.97
Rot. Bonds7

About N-heptan-4-yl-1-methylsulfonylpiperidin-4-amine

N-heptan-4-yl-1-methylsulfonylpiperidin-4-amine (PubChem CID 43628807) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is N-heptan-4-yl-1-methylsulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-heptan-4-yl-1-methylsulfonylpiperidin-4-amine
PubChem CID43628807
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC NameN-heptan-4-yl-1-methylsulfonylpiperidin-4-amine
SMILESCCCC(CCC)NC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C13H28N2O2S/c1-4-6-12(7-5-2)14-13-8-10-15(11-9-13)18(3,16)17/h12-14H,4-11H2,1-3H3
InChIKeyZUBHDYVRSAQKMJ-UHFFFAOYSA-N
XLogP1.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-heptan-4-yl-1-methylsulfonylpiperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-2,6-Dimethyl-1-methyl sulfonyl piperidine
CID 44245252
N-(Piperidin-4-yl)methanesulfonamide
CID 16227261
1-(Methanesulfonyl)piperidin-4-amine
CID 11355826
N-(piperidin-3-yl)methanesulfonamide
CID 20113226
4-Amino-1-ethanesulfonylpiperidine
CID 16776186
1-Methanesulfonylpiperidin-4-amine hydrochloride
CID 17221636
N-((piperidin-2-yl)methyl)methanesulfonamide
CID 18070091
N-(piperidin-4-yl)methanesulfonamide hydrochloride
CID 20569935
1-(Propane-2-sulfonyl)piperidin-4-amine hydrochloride
CID 21090391
N-methyl-N-(piperidin-4-yl)methanesulfonamide hydrochloride
CID 45792536
(1-Methanesulfonylpiperidin-2-yl)methanamine hydrochloride
CID 119031233
N-Methyl-1-(methylsulfonyl)-4-piperidinamine
CID 18758393

Frequently Asked Questions

What is the IUPAC name of N-heptan-4-yl-1-methylsulfonylpiperidin-4-amine?
The IUPAC name of N-heptan-4-yl-1-methylsulfonylpiperidin-4-amine (CID 43628807) is N-heptan-4-yl-1-methylsulfonylpiperidin-4-amine.
What is the SMILES notation for N-heptan-4-yl-1-methylsulfonylpiperidin-4-amine?
The canonical SMILES for N-heptan-4-yl-1-methylsulfonylpiperidin-4-amine is CCCC(CCC)NC1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-heptan-4-yl-1-methylsulfonylpiperidin-4-amine?
The InChIKey is ZUBHDYVRSAQKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-4-6-12(7-5-2)14-13-8-10-15(11-9-13)18(3,16)17/h12-14H,4-11H2,1-3H3.
What are the key properties of N-heptan-4-yl-1-methylsulfonylpiperidin-4-amine?
N-heptan-4-yl-1-methylsulfonylpiperidin-4-amine has a molecular weight of 276.45 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-4-yl-1-methylsulfonylpiperidin-4-amine is sourced from PubChem (CID 43628807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).