N-[1-[3-(methanesulfonamido)propyl]piperidin-3-yl]acetamide

C11H23N3O3S — CID 86842614

IUPACN-[1-[3-(methanesulfonamido)propyl]piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(CCCNS(C)(=O)=O)C1
InChIInChI=1S/C11H23N3O3S/c1-10(15)13-11-5-3-7-14(9-11)8-4-6-12-18(2,16)17/h11-12H,3-9H2,1-2H3,(H,13,15)
InChIKeyVIOVFZXCQDDYTC-UHFFFAOYSA-N
MW277.39 g/mol
LogP-0.47
Rot. Bonds6

About N-[1-[3-(methanesulfonamido)propyl]piperidin-3-yl]acetamide

N-[1-[3-(methanesulfonamido)propyl]piperidin-3-yl]acetamide (PubChem CID 86842614) has the molecular formula C11H23N3O3S and a molecular weight of 277.39 g/mol. Its IUPAC name is N-[1-[3-(methanesulfonamido)propyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[3-(methanesulfonamido)propyl]piperidin-3-yl]acetamide
PubChem CID86842614
Molecular FormulaC11H23N3O3S
Molecular Weight277.39 g/mol
Exact Mass277.15
IUPAC NameN-[1-[3-(methanesulfonamido)propyl]piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(CCCNS(C)(=O)=O)C1
InChIInChI=1S/C11H23N3O3S/c1-10(15)13-11-5-3-7-14(9-11)8-4-6-12-18(2,16)17/h11-12H,3-9H2,1-2H3,(H,13,15)
InChIKeyVIOVFZXCQDDYTC-UHFFFAOYSA-N
XLogP-0.47
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 5-0.47
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-(1-heptylpiperidin-3-yl)acetamide
CID 21122308
N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 171328429
N-[1-(2-aminoethyl)pyrrolidin-3-yl]acetamide
CID 23450282
N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]acetamide
CID 126774083
2-(3-acetamidopiperidin-1-yl)-N-pentylacetamide
CID 87014513
N-[(3S)-1-[2-[(3S)-3-(propanoylamino)piperidin-1-yl]ethyl]piperidin-3-yl]propanamide
CID 96549596
N-[2-(3-aminopiperidin-1-yl)ethyl]methanesulfonamide;hydrochloride
CID 119910084
[(3S)-1-propylpiperidin-3-yl]carbamic acid
CID 118936390
N-(1-propylsulfonylpiperidin-3-yl)acetamide
CID 61384209
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
N-[(3S)-1-[2-(3-methoxyphenyl)sulfonylethyl]piperidin-3-yl]acetamide
CID 95282014
N-[(3S)-1-[2-(2-bromophenoxy)ethyl]piperidin-3-yl]acetamide
CID 97159907

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(methanesulfonamido)propyl]piperidin-3-yl]acetamide?
The IUPAC name of N-[1-[3-(methanesulfonamido)propyl]piperidin-3-yl]acetamide (CID 86842614) is N-[1-[3-(methanesulfonamido)propyl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[3-(methanesulfonamido)propyl]piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-[3-(methanesulfonamido)propyl]piperidin-3-yl]acetamide is CC(=O)NC1CCCN(CCCNS(C)(=O)=O)C1.
What is the InChIKey of N-[1-[3-(methanesulfonamido)propyl]piperidin-3-yl]acetamide?
The InChIKey is VIOVFZXCQDDYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3S/c1-10(15)13-11-5-3-7-14(9-11)8-4-6-12-18(2,16)17/h11-12H,3-9H2,1-2H3,(H,13,15).
What are the key properties of N-[1-[3-(methanesulfonamido)propyl]piperidin-3-yl]acetamide?
N-[1-[3-(methanesulfonamido)propyl]piperidin-3-yl]acetamide has a molecular weight of 277.39 g/mol, XLogP of -0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(methanesulfonamido)propyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 86842614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).