3-(aminomethyl)-N-(1-propylsulfonylpiperidin-4-yl)pentanamide

C14H29N3O3S — CID 81071434

IUPAC3-(aminomethyl)-N-(1-propylsulfonylpiperidin-4-yl)pentanamide
SMILESCCCS(=O)(=O)N1CCC(NC(=O)CC(CC)CN)CC1
InChIInChI=1S/C14H29N3O3S/c1-3-9-21(19,20)17-7-5-13(6-8-17)16-14(18)10-12(4-2)11-15/h12-13H,3-11,15H2,1-2H3,(H,16,18)
InChIKeyGCAOLNDDSQOWGR-UHFFFAOYSA-N
MW319.47 g/mol
LogP0.68
Rot. Bonds8

About 3-(aminomethyl)-N-(1-propylsulfonylpiperidin-4-yl)pentanamide

3-(aminomethyl)-N-(1-propylsulfonylpiperidin-4-yl)pentanamide (PubChem CID 81071434) has the molecular formula C14H29N3O3S and a molecular weight of 319.47 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(1-propylsulfonylpiperidin-4-yl)pentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(1-propylsulfonylpiperidin-4-yl)pentanamide
PubChem CID81071434
Molecular FormulaC14H29N3O3S
Molecular Weight319.47 g/mol
Exact Mass319.19
IUPAC Name3-(aminomethyl)-N-(1-propylsulfonylpiperidin-4-yl)pentanamide
SMILESCCCS(=O)(=O)N1CCC(NC(=O)CC(CC)CN)CC1
InChIInChI=1S/C14H29N3O3S/c1-3-9-21(19,20)17-7-5-13(6-8-17)16-14(18)10-12(4-2)11-15/h12-13H,3-11,15H2,1-2H3,(H,16,18)
InChIKeyGCAOLNDDSQOWGR-UHFFFAOYSA-N
XLogP0.68
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(1-propylsulfonylpiperidin-4-yl)acetamide
CID 43425928
3-(aminomethyl)-1-(4-propylsulfonylpiperazin-1-yl)pentan-1-one
CID 81086907
2-(propan-2-ylamino)-N-(1-propylsulfonylpiperidin-4-yl)acetamide
CID 60841652
2-bromo-N-(1-propylsulfonylpiperidin-4-yl)butanamide
CID 62854305
4-oxo-4-[(1-propylsulfonylpiperidin-4-yl)amino]butanoic acid
CID 60940483
2-chloro-N-(1-propylsulfonylpiperidin-4-yl)propanamide
CID 43696323
(2S)-2-amino-3,3-dimethyl-N-(1-propylsulfonylpiperidin-4-yl)butanamide
CID 61154783
5-chloro-N-(1-propylsulfonylpiperidin-4-yl)pentanamide
CID 43696327
1-cycloheptyl-3-(1-propylsulfonylpiperidin-4-yl)urea
CID 86992837
2-(5-amino-2-pyridinyl)-N-(1-propylsulfonylpiperidin-4-yl)acetamide;hydrochloride
CID 120620773
N-(1-butylsulfonylpiperidin-4-yl)-4-oxopentanamide
CID 108562840
2-[2-[(1-ethylsulfonylpiperidin-4-yl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104569215

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(1-propylsulfonylpiperidin-4-yl)pentanamide?
The IUPAC name of 3-(aminomethyl)-N-(1-propylsulfonylpiperidin-4-yl)pentanamide (CID 81071434) is 3-(aminomethyl)-N-(1-propylsulfonylpiperidin-4-yl)pentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-(1-propylsulfonylpiperidin-4-yl)pentanamide?
The canonical SMILES for 3-(aminomethyl)-N-(1-propylsulfonylpiperidin-4-yl)pentanamide is CCCS(=O)(=O)N1CCC(NC(=O)CC(CC)CN)CC1.
What is the InChIKey of 3-(aminomethyl)-N-(1-propylsulfonylpiperidin-4-yl)pentanamide?
The InChIKey is GCAOLNDDSQOWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O3S/c1-3-9-21(19,20)17-7-5-13(6-8-17)16-14(18)10-12(4-2)11-15/h12-13H,3-11,15H2,1-2H3,(H,16,18).
What are the key properties of 3-(aminomethyl)-N-(1-propylsulfonylpiperidin-4-yl)pentanamide?
3-(aminomethyl)-N-(1-propylsulfonylpiperidin-4-yl)pentanamide has a molecular weight of 319.47 g/mol, XLogP of 0.68, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(1-propylsulfonylpiperidin-4-yl)pentanamide is sourced from PubChem (CID 81071434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).