N-heptyl-1-propylsulfonylpiperidin-4-amine

C15H32N2O2S — CID 43747983

IUPACN-heptyl-1-propylsulfonylpiperidin-4-amine
SMILESCCCCCCCNC1CCN(S(=O)(=O)CCC)CC1
InChIInChI=1S/C15H32N2O2S/c1-3-5-6-7-8-11-16-15-9-12-17(13-10-15)20(18,19)14-4-2/h15-16H,3-14H2,1-2H3
InChIKeyDFTHFUZZMWVJEF-UHFFFAOYSA-N
MW304.50 g/mol
LogP2.75
Rot. Bonds10

About N-heptyl-1-propylsulfonylpiperidin-4-amine

N-heptyl-1-propylsulfonylpiperidin-4-amine (PubChem CID 43747983) has the molecular formula C15H32N2O2S and a molecular weight of 304.50 g/mol. Its IUPAC name is N-heptyl-1-propylsulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-heptyl-1-propylsulfonylpiperidin-4-amine
PubChem CID43747983
Molecular FormulaC15H32N2O2S
Molecular Weight304.50 g/mol
Exact Mass304.22
IUPAC NameN-heptyl-1-propylsulfonylpiperidin-4-amine
SMILESCCCCCCCNC1CCN(S(=O)(=O)CCC)CC1
InChIInChI=1S/C15H32N2O2S/c1-3-5-6-7-8-11-16-15-9-12-17(13-10-15)20(18,19)14-4-2/h15-16H,3-14H2,1-2H3
InChIKeyDFTHFUZZMWVJEF-UHFFFAOYSA-N
XLogP2.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.50
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-heptyl-1-propylsulfonylpiperidin-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

N-pentyl-1-propylsulfonylpiperidin-4-amine
CID 43747927
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
1-cyclopropyl-N-heptylpiperidin-4-amine
CID 43747044
4-(hexylamino)piperidine-1-carboxamide
CID 43769692
N-(3-piperidin-1-ylsulfonylpropyl)cyclopentanamine
CID 91216623
2-chloro-N-(1-propylsulfonylpiperidin-4-yl)acetamide
CID 43425928
N-hexyl-1-methylpyrrolidin-3-amine
CID 61462127

Frequently Asked Questions

What is the IUPAC name of N-heptyl-1-propylsulfonylpiperidin-4-amine?
The IUPAC name of N-heptyl-1-propylsulfonylpiperidin-4-amine (CID 43747983) is N-heptyl-1-propylsulfonylpiperidin-4-amine.
What is the SMILES notation for N-heptyl-1-propylsulfonylpiperidin-4-amine?
The canonical SMILES for N-heptyl-1-propylsulfonylpiperidin-4-amine is CCCCCCCNC1CCN(S(=O)(=O)CCC)CC1.
What is the InChIKey of N-heptyl-1-propylsulfonylpiperidin-4-amine?
The InChIKey is DFTHFUZZMWVJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2S/c1-3-5-6-7-8-11-16-15-9-12-17(13-10-15)20(18,19)14-4-2/h15-16H,3-14H2,1-2H3.
What are the key properties of N-heptyl-1-propylsulfonylpiperidin-4-amine?
N-heptyl-1-propylsulfonylpiperidin-4-amine has a molecular weight of 304.50 g/mol, XLogP of 2.75, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptyl-1-propylsulfonylpiperidin-4-amine is sourced from PubChem (CID 43747983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).