2-[1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidin-4-yl]acetamide

C13H25N3O3S — CID 94192743

IUPAC2-[1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidin-4-yl]acetamide
SMILESC[C@H]1CCCN(S(=O)(=O)N2CCC(CC(N)=O)CC2)C1
InChIInChI=1S/C13H25N3O3S/c1-11-3-2-6-16(10-11)20(18,19)15-7-4-12(5-8-15)9-13(14)17/h11-12H,2-10H2,1H3,(H2,14,17)/t11-/m0/s1
InChIKeyBXTVMKDDWZSMMO-NSHDSACASA-N
MW303.43 g/mol
LogP0.55
Rot. Bonds4

About 2-[1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidin-4-yl]acetamide

2-[1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidin-4-yl]acetamide (PubChem CID 94192743) has the molecular formula C13H25N3O3S and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-[1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidin-4-yl]acetamide
PubChem CID94192743
Molecular FormulaC13H25N3O3S
Molecular Weight303.43 g/mol
Exact Mass303.16
IUPAC Name2-[1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidin-4-yl]acetamide
SMILESC[C@H]1CCCN(S(=O)(=O)N2CCC(CC(N)=O)CC2)C1
InChIInChI=1S/C13H25N3O3S/c1-11-3-2-6-16(10-11)20(18,19)15-7-4-12(5-8-15)9-13(14)17/h11-12H,2-10H2,1H3,(H2,14,17)/t11-/m0/s1
InChIKeyBXTVMKDDWZSMMO-NSHDSACASA-N
XLogP0.55
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(3-methylpiperidin-1-yl)sulfonylpyrrolidin-3-amine
CID 115302221
(3S)-1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidine-3-carboxamide
CID 94806388
1-[3-(bromomethyl)pyrrolidin-1-yl]sulfonyl-3-methylpiperidine
CID 80673941
(3R)-1-(3-methylpiperidin-1-yl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962874
2-[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]acetamide
CID 47319363
4-methyl-1-(3-methylpiperidin-1-yl)sulfonylpiperidine-4-carbothioamide
CID 107161320
(3R)-1-[(3R)-3-methylpiperidin-1-yl]sulfonylpyrrolidine-3-carboxylic acid
CID 129410180
N-methyl-1-[1-(3-methylpiperidin-1-yl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119977939
1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
CID 47154847
1-(3-methylpiperidin-1-yl)sulfonylpiperidin-3-ol
CID 43503036
(3S)-1-(3-methylpiperidin-1-yl)sulfonylpiperidin-3-ol
CID 107225019
1-(4-benzylpiperidin-1-yl)sulfonyl-3-methylpiperidine
CID 75872723

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidin-4-yl]acetamide?
The IUPAC name of 2-[1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidin-4-yl]acetamide (CID 94192743) is 2-[1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidin-4-yl]acetamide is C[C@H]1CCCN(S(=O)(=O)N2CCC(CC(N)=O)CC2)C1.
What is the InChIKey of 2-[1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidin-4-yl]acetamide?
The InChIKey is BXTVMKDDWZSMMO-NSHDSACASA-N. The full InChI is InChI=1S/C13H25N3O3S/c1-11-3-2-6-16(10-11)20(18,19)15-7-4-12(5-8-15)9-13(14)17/h11-12H,2-10H2,1H3,(H2,14,17)/t11-/m0/s1.
What are the key properties of 2-[1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidin-4-yl]acetamide?
2-[1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidin-4-yl]acetamide has a molecular weight of 303.43 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidin-4-yl]acetamide is sourced from PubChem (CID 94192743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).