N-(1-ethylsulfanylpropan-2-yl)-1-methylsulfonylpiperidin-4-amine

C11H24N2O2S2 — CID 56708476

IUPACN-(1-ethylsulfanylpropan-2-yl)-1-methylsulfonylpiperidin-4-amine
SMILESCCSCC(C)NC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C11H24N2O2S2/c1-4-16-9-10(2)12-11-5-7-13(8-6-11)17(3,14)15/h10-12H,4-9H2,1-3H3
InChIKeyQQZVKYCKQVEGTC-UHFFFAOYSA-N
MW280.46 g/mol
LogP1.14
Rot. Bonds6

About N-(1-ethylsulfanylpropan-2-yl)-1-methylsulfonylpiperidin-4-amine

N-(1-ethylsulfanylpropan-2-yl)-1-methylsulfonylpiperidin-4-amine (PubChem CID 56708476) has the molecular formula C11H24N2O2S2 and a molecular weight of 280.46 g/mol. Its IUPAC name is N-(1-ethylsulfanylpropan-2-yl)-1-methylsulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-(1-ethylsulfanylpropan-2-yl)-1-methylsulfonylpiperidin-4-amine
PubChem CID56708476
Molecular FormulaC11H24N2O2S2
Molecular Weight280.46 g/mol
Exact Mass280.13
IUPAC NameN-(1-ethylsulfanylpropan-2-yl)-1-methylsulfonylpiperidin-4-amine
SMILESCCSCC(C)NC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C11H24N2O2S2/c1-4-16-9-10(2)12-11-5-7-13(8-6-11)17(3,14)15/h10-12H,4-9H2,1-3H3
InChIKeyQQZVKYCKQVEGTC-UHFFFAOYSA-N
XLogP1.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-ethylsulfanylpropan-2-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

1-ethyl-N-(1-ethylsulfanylpropan-2-yl)piperidin-4-amine
CID 115725724
4-[(1-methylsulfonylpiperidin-4-yl)amino]pentan-1-ol
CID 113262654
N-heptan-4-yl-1-methylsulfonylpiperidin-4-amine
CID 43628807
N-[1-(2-methylsulfanylphenyl)propan-2-yl]-1-methylsulfonylpiperidin-4-amine
CID 86787422
N,N-diethyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]propanamide
CID 43628998
N-[1-(4-bromophenyl)propan-2-yl]-1-methylsulfonylpiperidin-4-amine
CID 103779237
N-heptan-3-yl-1-methylsulfonylpiperidin-4-amine
CID 63945691
N-hex-1-yn-3-yl-1-methylsulfonylpiperidin-4-amine
CID 114239294
N-[1-(3-fluorophenyl)propan-2-yl]-1-methylsulfonylpiperidin-4-amine
CID 115708819
1-methylsulfonyl-N-[(2R)-1-phenylsulfanylbutan-2-yl]piperidin-4-amine
CID 97107832
N-(1-ethylsulfanylpropan-2-yl)-3-propan-2-ylcyclohexan-1-amine
CID 107448809
tert-butyl N-[4-(1-ethylsulfanylpropan-2-ylamino)cyclohexyl]carbamate
CID 115972455

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfanylpropan-2-yl)-1-methylsulfonylpiperidin-4-amine?
The IUPAC name of N-(1-ethylsulfanylpropan-2-yl)-1-methylsulfonylpiperidin-4-amine (CID 56708476) is N-(1-ethylsulfanylpropan-2-yl)-1-methylsulfonylpiperidin-4-amine.
What is the SMILES notation for N-(1-ethylsulfanylpropan-2-yl)-1-methylsulfonylpiperidin-4-amine?
The canonical SMILES for N-(1-ethylsulfanylpropan-2-yl)-1-methylsulfonylpiperidin-4-amine is CCSCC(C)NC1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-(1-ethylsulfanylpropan-2-yl)-1-methylsulfonylpiperidin-4-amine?
The InChIKey is QQZVKYCKQVEGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S2/c1-4-16-9-10(2)12-11-5-7-13(8-6-11)17(3,14)15/h10-12H,4-9H2,1-3H3.
What are the key properties of N-(1-ethylsulfanylpropan-2-yl)-1-methylsulfonylpiperidin-4-amine?
N-(1-ethylsulfanylpropan-2-yl)-1-methylsulfonylpiperidin-4-amine has a molecular weight of 280.46 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfanylpropan-2-yl)-1-methylsulfonylpiperidin-4-amine is sourced from PubChem (CID 56708476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).