5-[(1-methylsulfonylpiperidin-4-yl)amino]pentanamide

C11H23N3O3S — CID 114239295

IUPAC5-[(1-methylsulfonylpiperidin-4-yl)amino]pentanamide
SMILESCS(=O)(=O)N1CCC(NCCCCC(N)=O)CC1
InChIInChI=1S/C11H23N3O3S/c1-18(16,17)14-8-5-10(6-9-14)13-7-3-2-4-11(12)15/h10,13H,2-9H2,1H3,(H2,12,15)
InChIKeyKJMNGNBTSRTVOH-UHFFFAOYSA-N
MW277.39 g/mol
LogP-0.34
Rot. Bonds7

About 5-[(1-methylsulfonylpiperidin-4-yl)amino]pentanamide

5-[(1-methylsulfonylpiperidin-4-yl)amino]pentanamide (PubChem CID 114239295) has the molecular formula C11H23N3O3S and a molecular weight of 277.39 g/mol. Its IUPAC name is 5-[(1-methylsulfonylpiperidin-4-yl)amino]pentanamide.

Molecular Properties

Compound Name5-[(1-methylsulfonylpiperidin-4-yl)amino]pentanamide
PubChem CID114239295
Molecular FormulaC11H23N3O3S
Molecular Weight277.39 g/mol
Exact Mass277.15
IUPAC Name5-[(1-methylsulfonylpiperidin-4-yl)amino]pentanamide
SMILESCS(=O)(=O)N1CCC(NCCCCC(N)=O)CC1
InChIInChI=1S/C11H23N3O3S/c1-18(16,17)14-8-5-10(6-9-14)13-7-3-2-4-11(12)15/h10,13H,2-9H2,1H3,(H2,12,15)
InChIKeyKJMNGNBTSRTVOH-UHFFFAOYSA-N
XLogP-0.34
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethylsulfonylpropyl)-1-methylsulfonylpiperidin-4-amine
CID 65093523
N-[2-[(1-methylsulfonylpiperidin-4-yl)amino]ethyl]acetamide
CID 102673469
1-methylsulfonyl-N-(3-pyrrolidin-1-ylpropyl)piperidin-4-amine
CID 61493973
N-(4-methylpentyl)-1-methylsulfonylpiperidin-4-amine
CID 81302082
N-(3-methylbut-3-enyl)-1-methylsulfonylpiperidin-4-amine
CID 114472064
4-[(1-acetylpiperidin-4-yl)amino]butanamide
CID 60864118
5-[[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]amino]pentanamide
CID 106233558
N-[3-(4-methylsulfonylpiperazin-1-yl)propyl]cyclopentanamine
CID 63004730
3-[(1-methylpiperidin-4-yl)amino]propanamide
CID 43373494
N-(3-imidazol-1-ylpropyl)-1-methylsulfonylpiperidin-4-amine
CID 61494543
3-[(1-acetylpiperidin-4-yl)amino]propanamide
CID 43224982
5-[(1,1-dioxothian-4-yl)amino]pentanamide
CID 106233333

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methylsulfonylpiperidin-4-yl)amino]pentanamide?
The IUPAC name of 5-[(1-methylsulfonylpiperidin-4-yl)amino]pentanamide (CID 114239295) is 5-[(1-methylsulfonylpiperidin-4-yl)amino]pentanamide.
What is the SMILES notation for 5-[(1-methylsulfonylpiperidin-4-yl)amino]pentanamide?
The canonical SMILES for 5-[(1-methylsulfonylpiperidin-4-yl)amino]pentanamide is CS(=O)(=O)N1CCC(NCCCCC(N)=O)CC1.
What is the InChIKey of 5-[(1-methylsulfonylpiperidin-4-yl)amino]pentanamide?
The InChIKey is KJMNGNBTSRTVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3S/c1-18(16,17)14-8-5-10(6-9-14)13-7-3-2-4-11(12)15/h10,13H,2-9H2,1H3,(H2,12,15).
What are the key properties of 5-[(1-methylsulfonylpiperidin-4-yl)amino]pentanamide?
5-[(1-methylsulfonylpiperidin-4-yl)amino]pentanamide has a molecular weight of 277.39 g/mol, XLogP of -0.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylsulfonylpiperidin-4-yl)amino]pentanamide is sourced from PubChem (CID 114239295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).