2-cyclopentylsulfanyl-N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]acetamide

C16H28N2O3S2 — CID 71806319

IUPAC2-cyclopentylsulfanyl-N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]acetamide
SMILESO=C(CSC1CCCC1)NCC1CCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C16H28N2O3S2/c19-16(12-22-14-3-1-2-4-14)17-11-13-7-9-18(10-8-13)23(20,21)15-5-6-15/h13-15H,1-12H2,(H,17,19)
InChIKeyXWIOEWYELRJHSJ-UHFFFAOYSA-N
MW360.55 g/mol
LogP1.98
Rot. Bonds7

About 2-cyclopentylsulfanyl-N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]acetamide

2-cyclopentylsulfanyl-N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]acetamide (PubChem CID 71806319) has the molecular formula C16H28N2O3S2 and a molecular weight of 360.55 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]acetamide
PubChem CID71806319
Molecular FormulaC16H28N2O3S2
Molecular Weight360.55 g/mol
Exact Mass360.15
IUPAC Name2-cyclopentylsulfanyl-N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]acetamide
SMILESO=C(CSC1CCCC1)NCC1CCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C16H28N2O3S2/c19-16(12-22-14-3-1-2-4-14)17-11-13-7-9-18(10-8-13)23(20,21)15-5-6-15/h13-15H,1-12H2,(H,17,19)
InChIKeyXWIOEWYELRJHSJ-UHFFFAOYSA-N
XLogP1.98
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.55
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-((1-(cyclopropylsulfonyl)piperidin-4-yl)sulfonyl)-N-methylacetamide
CID 71809138
N-[[1-[(3S)-1,1-dioxothiolan-3-yl]sulfonylpiperidin-4-yl]methyl]cyclopentanecarboxamide
CID 164631089
2-(cyclopentylthio)-N-((1-(methylsulfonyl)piperidin-4-yl)methyl)acetamide
CID 71806285
N-((1-(cyclopropylsulfonyl)piperidin-4-yl)methyl)acetamide
CID 49692144
N-((1-(cyclopropylsulfonyl)piperidin-4-yl)methyl)propionamide
CID 49692145
N-((1-(cyclopropylsulfonyl)piperidin-4-yl)methyl)isobutyramide
CID 49692149
N-((1,1-dioxidotetrahydrothiophen-3-yl)methyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 49725427
N-[2-(tert-butylsulfanyl)ethyl]-1-(ethylsulfonyl)piperidine-4-carboxamide
CID 53278532
N-[(1,1-dioxothiolan-3-yl)methyl]piperidine-4-carboxamide
CID 54915549
3-cyclopentylsulfonyl-N-[4-(4-methylpiperidin-1-yl)butyl]propanamide
CID 55743562
2-ethyl-N-(2-thiomorpholin-4-ylsulfonylethyl)butanamide
CID 56782913
N-[2-(cyclopentylsulfanyl)ethyl]-1-(ethylsulfonyl)piperidine-4-carboxamide
CID 56920303

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]acetamide?
The IUPAC name of 2-cyclopentylsulfanyl-N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]acetamide (CID 71806319) is 2-cyclopentylsulfanyl-N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]acetamide.
What is the SMILES notation for 2-cyclopentylsulfanyl-N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]acetamide?
The canonical SMILES for 2-cyclopentylsulfanyl-N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]acetamide is O=C(CSC1CCCC1)NCC1CCN(S(=O)(=O)C2CC2)CC1.
What is the InChIKey of 2-cyclopentylsulfanyl-N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]acetamide?
The InChIKey is XWIOEWYELRJHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3S2/c19-16(12-22-14-3-1-2-4-14)17-11-13-7-9-18(10-8-13)23(20,21)15-5-6-15/h13-15H,1-12H2,(H,17,19).
What are the key properties of 2-cyclopentylsulfanyl-N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]acetamide?
2-cyclopentylsulfanyl-N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]acetamide has a molecular weight of 360.55 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]acetamide is sourced from PubChem (CID 71806319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).