N-pentyl-1-propylsulfonylpiperidin-4-amine

C13H28N2O2S — CID 43747927

IUPACN-pentyl-1-propylsulfonylpiperidin-4-amine
SMILESCCCCCNC1CCN(S(=O)(=O)CCC)CC1
InChIInChI=1S/C13H28N2O2S/c1-3-5-6-9-14-13-7-10-15(11-8-13)18(16,17)12-4-2/h13-14H,3-12H2,1-2H3
InChIKeyUJTCTTJNQXEUSG-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.97
Rot. Bonds8

About N-pentyl-1-propylsulfonylpiperidin-4-amine

N-pentyl-1-propylsulfonylpiperidin-4-amine (PubChem CID 43747927) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is N-pentyl-1-propylsulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-pentyl-1-propylsulfonylpiperidin-4-amine
PubChem CID43747927
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC NameN-pentyl-1-propylsulfonylpiperidin-4-amine
SMILESCCCCCNC1CCN(S(=O)(=O)CCC)CC1
InChIInChI=1S/C13H28N2O2S/c1-3-5-6-9-14-13-7-10-15(11-8-13)18(16,17)12-4-2/h13-14H,3-12H2,1-2H3
InChIKeyUJTCTTJNQXEUSG-UHFFFAOYSA-N
XLogP1.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-heptyl-1-propylsulfonylpiperidin-4-amine
CID 43747983
N-(4-methylsulfanylbutyl)-1-propylsulfonylpiperidin-4-amine
CID 103087749
1-(2-methylsulfonylethylsulfonyl)-N-propylpiperidin-4-amine
CID 55173688
N-(cyclopropylmethyl)-1-propylsulfonylpiperidin-4-amine
CID 43748011
1-(3-methylbutylsulfonyl)-N-propylpiperidin-4-amine
CID 63834582
N-(3-ethylsulfonylpropyl)-1-methylsulfonylpiperidin-4-amine
CID 65093523
1-[4-(hexylamino)piperidin-1-yl]ethanone
CID 43222793
N-(3-piperidin-1-ylsulfonylpropyl)cyclopentanamine
CID 91216623
2-chloro-N-(1-propylsulfonylpiperidin-4-yl)acetamide
CID 43425928
1-cyclopropyl-N-heptylpiperidin-4-amine
CID 43747044
4-(hexylamino)piperidine-1-carboxamide
CID 43769692
N-[1-(1-propylsulfonylpiperidin-4-yl)ethyl]propan-1-amine
CID 63853504

Frequently Asked Questions

What is the IUPAC name of N-pentyl-1-propylsulfonylpiperidin-4-amine?
The IUPAC name of N-pentyl-1-propylsulfonylpiperidin-4-amine (CID 43747927) is N-pentyl-1-propylsulfonylpiperidin-4-amine.
What is the SMILES notation for N-pentyl-1-propylsulfonylpiperidin-4-amine?
The canonical SMILES for N-pentyl-1-propylsulfonylpiperidin-4-amine is CCCCCNC1CCN(S(=O)(=O)CCC)CC1.
What is the InChIKey of N-pentyl-1-propylsulfonylpiperidin-4-amine?
The InChIKey is UJTCTTJNQXEUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-3-5-6-9-14-13-7-10-15(11-8-13)18(16,17)12-4-2/h13-14H,3-12H2,1-2H3.
What are the key properties of N-pentyl-1-propylsulfonylpiperidin-4-amine?
N-pentyl-1-propylsulfonylpiperidin-4-amine has a molecular weight of 276.45 g/mol, XLogP of 1.97, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-1-propylsulfonylpiperidin-4-amine is sourced from PubChem (CID 43747927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).