N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide

C22H34N4O4S2 — CID 16602081

IUPACN-[(1-morpholin-4-ylcyclohexyl)methyl]-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
SMILESO=C(CSc1ccc(S(=O)(=O)N2CCCC2)cn1)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C22H34N4O4S2/c27-20(24-18-22(8-2-1-3-9-22)25-12-14-30-15-13-25)17-31-21-7-6-19(16-23-21)32(28,29)26-10-4-5-11-26/h6-7,16H,1-5,8-15,17-18H2,(H,24,27)
InChIKeyAABOBOIORPEUNU-UHFFFAOYSA-N
MW482.67 g/mol
LogP2.11
Rot. Bonds8

About N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide

N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide (PubChem CID 16602081) has the molecular formula C22H34N4O4S2 and a molecular weight of 482.67 g/mol. Its IUPAC name is N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(1-morpholin-4-ylcyclohexyl)methyl]-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
PubChem CID16602081
Molecular FormulaC22H34N4O4S2
Molecular Weight482.67 g/mol
Exact Mass482.20
IUPAC NameN-[(1-morpholin-4-ylcyclohexyl)methyl]-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
SMILESO=C(CSc1ccc(S(=O)(=O)N2CCCC2)cn1)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C22H34N4O4S2/c27-20(24-18-22(8-2-1-3-9-22)25-12-14-30-15-13-25)17-31-21-7-6-19(16-23-21)32(28,29)26-10-4-5-11-26/h6-7,16H,1-5,8-15,17-18H2,(H,24,27)
InChIKeyAABOBOIORPEUNU-UHFFFAOYSA-N
XLogP2.11
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.67
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide with MolForge

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Related Compounds

2-[[5-(azepan-1-ylsulfonyl)-2-pyridinyl]sulfanyl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 24580143
1-morpholin-4-yl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]ethanone
CID 7561679
1-(azepan-1-yl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]ethanone
CID 7569990
methyl 2-[[2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetyl]amino]acetate
CID 7561709
2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]-N-(2-phenylethyl)acetamide
CID 7774854
N-carbamoyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 7561697
N-[(4-methylphenyl)methyl]-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 55377614
N-(2,6-dichlorophenyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 30117219
N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-piperidin-1-ylsulfonylbenzamide
CID 17391709
2-[[5-(azepan-1-ylsulfonyl)-2-pyridinyl]sulfanyl]-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 41481598
N-cyclopentyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 7779585
N-[(2R)-butan-2-yl]-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 7779648

Frequently Asked Questions

What is the IUPAC name of N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide?
The IUPAC name of N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide (CID 16602081) is N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide.
What is the SMILES notation for N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide?
The canonical SMILES for N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide is O=C(CSc1ccc(S(=O)(=O)N2CCCC2)cn1)NCC1(N2CCOCC2)CCCCC1.
What is the InChIKey of N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide?
The InChIKey is AABOBOIORPEUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O4S2/c27-20(24-18-22(8-2-1-3-9-22)25-12-14-30-15-13-25)17-31-21-7-6-19(16-23-21)32(28,29)26-10-4-5-11-26/h6-7,16H,1-5,8-15,17-18H2,(H,24,27).
What are the key properties of N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide?
N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide has a molecular weight of 482.67 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide is sourced from PubChem (CID 16602081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).