N-[(3R)-1-(3-aminopropanoyl)piperidin-3-yl]-4-tert-butylbenzenesulfonamide

C18H29N3O3S — CID 70646054

IUPACN-[(3R)-1-(3-aminopropanoyl)piperidin-3-yl]-4-tert-butylbenzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)N[C@@H]2CCCN(C(=O)CCN)C2)cc1
InChIInChI=1S/C18H29N3O3S/c1-18(2,3)14-6-8-16(9-7-14)25(23,24)20-15-5-4-12-21(13-15)17(22)10-11-19/h6-9,15,20H,4-5,10-13,19H2,1-3H3/t15-/m1/s1
InChIKeyFUJXGJBFHUWSPU-OAHLLOKOSA-N
MW367.52 g/mol
LogP1.60
Rot. Bonds5

About N-[(3R)-1-(3-aminopropanoyl)piperidin-3-yl]-4-tert-butylbenzenesulfonamide

N-[(3R)-1-(3-aminopropanoyl)piperidin-3-yl]-4-tert-butylbenzenesulfonamide (PubChem CID 70646054) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is N-[(3R)-1-(3-aminopropanoyl)piperidin-3-yl]-4-tert-butylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(3R)-1-(3-aminopropanoyl)piperidin-3-yl]-4-tert-butylbenzenesulfonamide
PubChem CID70646054
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC NameN-[(3R)-1-(3-aminopropanoyl)piperidin-3-yl]-4-tert-butylbenzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)N[C@@H]2CCCN(C(=O)CCN)C2)cc1
InChIInChI=1S/C18H29N3O3S/c1-18(2,3)14-6-8-16(9-7-14)25(23,24)20-15-5-4-12-21(13-15)17(22)10-11-19/h6-9,15,20H,4-5,10-13,19H2,1-3H3/t15-/m1/s1
InChIKeyFUJXGJBFHUWSPU-OAHLLOKOSA-N
XLogP1.60
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3R)-1-(3-aminopropanoyl)piperidin-3-yl]-4-tert-butylbenzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(3-aminopropanoyl)piperidin-3-yl]-4-tert-butylbenzenesulfonamide?
The IUPAC name of N-[(3R)-1-(3-aminopropanoyl)piperidin-3-yl]-4-tert-butylbenzenesulfonamide (CID 70646054) is N-[(3R)-1-(3-aminopropanoyl)piperidin-3-yl]-4-tert-butylbenzenesulfonamide.
What is the SMILES notation for N-[(3R)-1-(3-aminopropanoyl)piperidin-3-yl]-4-tert-butylbenzenesulfonamide?
The canonical SMILES for N-[(3R)-1-(3-aminopropanoyl)piperidin-3-yl]-4-tert-butylbenzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)N[C@@H]2CCCN(C(=O)CCN)C2)cc1.
What is the InChIKey of N-[(3R)-1-(3-aminopropanoyl)piperidin-3-yl]-4-tert-butylbenzenesulfonamide?
The InChIKey is FUJXGJBFHUWSPU-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H29N3O3S/c1-18(2,3)14-6-8-16(9-7-14)25(23,24)20-15-5-4-12-21(13-15)17(22)10-11-19/h6-9,15,20H,4-5,10-13,19H2,1-3H3/t15-/m1/s1.
What are the key properties of N-[(3R)-1-(3-aminopropanoyl)piperidin-3-yl]-4-tert-butylbenzenesulfonamide?
N-[(3R)-1-(3-aminopropanoyl)piperidin-3-yl]-4-tert-butylbenzenesulfonamide has a molecular weight of 367.52 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(3-aminopropanoyl)piperidin-3-yl]-4-tert-butylbenzenesulfonamide is sourced from PubChem (CID 70646054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).