N-[(1S,3S)-3-ethylsulfanylcyclopentyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C17H29N3OS — CID 96517817

IUPACN-[(1S,3S)-3-ethylsulfanylcyclopentyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCCS[C@H]1CC[C@H](N(C)C(=O)CCc2c(C)nn(C)c2C)C1
InChIInChI=1S/C17H29N3OS/c1-6-22-15-8-7-14(11-15)19(4)17(21)10-9-16-12(2)18-20(5)13(16)3/h14-15H,6-11H2,1-5H3/t14-,15-/m0/s1
InChIKeyGCBUEZJESSSYDJ-GJZGRUSLSA-N
MW323.51 g/mol
LogP3.10
Rot. Bonds6

About N-[(1S,3S)-3-ethylsulfanylcyclopentyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-[(1S,3S)-3-ethylsulfanylcyclopentyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 96517817) has the molecular formula C17H29N3OS and a molecular weight of 323.51 g/mol. Its IUPAC name is N-[(1S,3S)-3-ethylsulfanylcyclopentyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[(1S,3S)-3-ethylsulfanylcyclopentyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID96517817
Molecular FormulaC17H29N3OS
Molecular Weight323.51 g/mol
Exact Mass323.20
IUPAC NameN-[(1S,3S)-3-ethylsulfanylcyclopentyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCCS[C@H]1CC[C@H](N(C)C(=O)CCc2c(C)nn(C)c2C)C1
InChIInChI=1S/C17H29N3OS/c1-6-22-15-8-7-14(11-15)19(4)17(21)10-9-16-12(2)18-20(5)13(16)3/h14-15H,6-11H2,1-5H3/t14-,15-/m0/s1
InChIKeyGCBUEZJESSSYDJ-GJZGRUSLSA-N
XLogP3.10
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.51
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(1S,3S)-3-ethylsulfanylcyclopentyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide with MolForge

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Related Compounds

N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 95157289
N-(3-ethylsulfanylcyclohexyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 71979348
N-(2-hydroxycyclohexyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 102634893
7-amino-N-(3-ethylsulfanylcyclopentyl)-N-methylheptanamide
CID 119816970
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 110685697
N-(1-aminopropan-2-yl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 119583409
2-methyl-2-[methyl-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]propanoic acid
CID 62819020
1-(4-hydroxypiperidin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 43416095
ethyl 1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-4-carboxylate
CID 71688982
1-cyclopropyl-1-methyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]guanidine
CID 110031890
2-[2-methylpropyl-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]acetic acid
CID 62032074
N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 134009796

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S)-3-ethylsulfanylcyclopentyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-[(1S,3S)-3-ethylsulfanylcyclopentyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 96517817) is N-[(1S,3S)-3-ethylsulfanylcyclopentyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[(1S,3S)-3-ethylsulfanylcyclopentyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[(1S,3S)-3-ethylsulfanylcyclopentyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is CCS[C@H]1CC[C@H](N(C)C(=O)CCc2c(C)nn(C)c2C)C1.
What is the InChIKey of N-[(1S,3S)-3-ethylsulfanylcyclopentyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is GCBUEZJESSSYDJ-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H29N3OS/c1-6-22-15-8-7-14(11-15)19(4)17(21)10-9-16-12(2)18-20(5)13(16)3/h14-15H,6-11H2,1-5H3/t14-,15-/m0/s1.
What are the key properties of N-[(1S,3S)-3-ethylsulfanylcyclopentyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-[(1S,3S)-3-ethylsulfanylcyclopentyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 323.51 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S)-3-ethylsulfanylcyclopentyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 96517817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).