N-[[1-(1-amino-1-sulfanylidenepropan-2-yl)sulfonylpiperidin-4-yl]methyl]acetamide

C11H21N3O3S2 — CID 102736314

IUPACN-[[1-(1-amino-1-sulfanylidenepropan-2-yl)sulfonylpiperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(S(=O)(=O)C(C)C(N)=S)CC1
InChIInChI=1S/C11H21N3O3S2/c1-8(11(12)18)19(16,17)14-5-3-10(4-6-14)7-13-9(2)15/h8,10H,3-7H2,1-2H3,(H2,12,18)(H,13,15)
InChIKeyYUPJXJORLYDOAW-UHFFFAOYSA-N
MW307.44 g/mol
LogP-0.16
Rot. Bonds5

About N-[[1-(1-amino-1-sulfanylidenepropan-2-yl)sulfonylpiperidin-4-yl]methyl]acetamide

N-[[1-(1-amino-1-sulfanylidenepropan-2-yl)sulfonylpiperidin-4-yl]methyl]acetamide (PubChem CID 102736314) has the molecular formula C11H21N3O3S2 and a molecular weight of 307.44 g/mol. Its IUPAC name is N-[[1-(1-amino-1-sulfanylidenepropan-2-yl)sulfonylpiperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(1-amino-1-sulfanylidenepropan-2-yl)sulfonylpiperidin-4-yl]methyl]acetamide
PubChem CID102736314
Molecular FormulaC11H21N3O3S2
Molecular Weight307.44 g/mol
Exact Mass307.10
IUPAC NameN-[[1-(1-amino-1-sulfanylidenepropan-2-yl)sulfonylpiperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(S(=O)(=O)C(C)C(N)=S)CC1
InChIInChI=1S/C11H21N3O3S2/c1-8(11(12)18)19(16,17)14-5-3-10(4-6-14)7-13-9(2)15/h8,10H,3-7H2,1-2H3,(H2,12,18)(H,13,15)
InChIKeyYUPJXJORLYDOAW-UHFFFAOYSA-N
XLogP-0.16
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(2-aminoethylsulfonyl)piperidin-4-yl]methyl]acetamide
CID 102736166
(2R)-2-amino-N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]propanamide
CID 119324850
N-[[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]methyl]acetamide
CID 66567593
N-[[1-(cyanomethylsulfonyl)piperidin-4-yl]methyl]acetamide
CID 103850354
N-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl]acetamide
CID 106932924
N-[[1-(4-hydroxyphenyl)sulfonylpiperidin-4-yl]methyl]acetamide
CID 102736733
N-[[1-(N'-methylcarbamimidoyl)piperidin-4-yl]methyl]acetamide
CID 102736501
N-[[1-(4-aminothiophen-2-yl)sulfonylpiperidin-4-yl]methyl]acetamide
CID 102735864
N-[(1-ethylpiperidin-4-yl)methyl]acetamide
CID 60968762
N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]acetamide
CID 66567390
3-[4-(acetamidomethyl)piperidin-1-yl]-2-methylpropanoic acid
CID 102736543
N-[(1-propan-2-ylazetidin-3-yl)methyl]acetamide
CID 90251686

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-amino-1-sulfanylidenepropan-2-yl)sulfonylpiperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-(1-amino-1-sulfanylidenepropan-2-yl)sulfonylpiperidin-4-yl]methyl]acetamide (CID 102736314) is N-[[1-(1-amino-1-sulfanylidenepropan-2-yl)sulfonylpiperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-(1-amino-1-sulfanylidenepropan-2-yl)sulfonylpiperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-(1-amino-1-sulfanylidenepropan-2-yl)sulfonylpiperidin-4-yl]methyl]acetamide is CC(=O)NCC1CCN(S(=O)(=O)C(C)C(N)=S)CC1.
What is the InChIKey of N-[[1-(1-amino-1-sulfanylidenepropan-2-yl)sulfonylpiperidin-4-yl]methyl]acetamide?
The InChIKey is YUPJXJORLYDOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3S2/c1-8(11(12)18)19(16,17)14-5-3-10(4-6-14)7-13-9(2)15/h8,10H,3-7H2,1-2H3,(H2,12,18)(H,13,15).
What are the key properties of N-[[1-(1-amino-1-sulfanylidenepropan-2-yl)sulfonylpiperidin-4-yl]methyl]acetamide?
N-[[1-(1-amino-1-sulfanylidenepropan-2-yl)sulfonylpiperidin-4-yl]methyl]acetamide has a molecular weight of 307.44 g/mol, XLogP of -0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-amino-1-sulfanylidenepropan-2-yl)sulfonylpiperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 102736314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).