4-ethyl-N-[(1R,3R)-3-ethylsulfanylcyclopentyl]piperazine-1-carboxamide

C14H27N3OS — CID 95969263

IUPAC4-ethyl-N-[(1R,3R)-3-ethylsulfanylcyclopentyl]piperazine-1-carboxamide
SMILESCCS[C@@H]1CC[C@@H](NC(=O)N2CCN(CC)CC2)C1
InChIInChI=1S/C14H27N3OS/c1-3-16-7-9-17(10-8-16)14(18)15-12-5-6-13(11-12)19-4-2/h12-13H,3-11H2,1-2H3,(H,15,18)/t12-,13-/m1/s1
InChIKeyJLQFAJHOFJTMPR-CHWSQXEVSA-N
MW285.46 g/mol
LogP2.01
Rot. Bonds4

About 4-ethyl-N-[(1R,3R)-3-ethylsulfanylcyclopentyl]piperazine-1-carboxamide

4-ethyl-N-[(1R,3R)-3-ethylsulfanylcyclopentyl]piperazine-1-carboxamide (PubChem CID 95969263) has the molecular formula C14H27N3OS and a molecular weight of 285.46 g/mol. Its IUPAC name is 4-ethyl-N-[(1R,3R)-3-ethylsulfanylcyclopentyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[(1R,3R)-3-ethylsulfanylcyclopentyl]piperazine-1-carboxamide
PubChem CID95969263
Molecular FormulaC14H27N3OS
Molecular Weight285.46 g/mol
Exact Mass285.19
IUPAC Name4-ethyl-N-[(1R,3R)-3-ethylsulfanylcyclopentyl]piperazine-1-carboxamide
SMILESCCS[C@@H]1CC[C@@H](NC(=O)N2CCN(CC)CC2)C1
InChIInChI=1S/C14H27N3OS/c1-3-16-7-9-17(10-8-16)14(18)15-12-5-6-13(11-12)19-4-2/h12-13H,3-11H2,1-2H3,(H,15,18)/t12-,13-/m1/s1
InChIKeyJLQFAJHOFJTMPR-CHWSQXEVSA-N
XLogP2.01
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-methylpiperidin-4-yl)-N-(3-methylsulfanylpropyl)piperazine-1-carboxamide
CID 172437240
N-propan-2-yl-4-(thiolane-2-carbonyl)piperazine-1-carboxamide
CID 167530301
N-(3-methylsulfanylcyclopentyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide
CID 71924350
3-methyl-N-(thiolan-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 84592173
(3R)-3-methyl-N-[[(2S)-thiolan-2-yl]methyl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 97606967
(3S)-3-methyl-N-[[(2S)-thiolan-2-yl]methyl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 97606968
N-[(1S,3R)-3-methylsulfanylcyclopentyl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazine-1-carboxamide
CID 98792144
N-[(1R,3R)-3-methylsulfanylcyclopentyl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazine-1-carboxamide
CID 98792145
(3R)-3-methyl-N-[[(2R)-thiolan-2-yl]methyl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 99850756
(3S)-3-methyl-N-[[(2R)-thiolan-2-yl]methyl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 99850757
N-[(1R,3R)-3-methylsulfanylcyclopentyl]-4-[(2S)-1,1,1-trifluoropropan-2-yl]piperazine-1-carboxamide
CID 100874221
N-[(1S,3R)-3-methylsulfanylcyclopentyl]-4-[(2S)-1,1,1-trifluoropropan-2-yl]piperazine-1-carboxamide
CID 100874222

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(1R,3R)-3-ethylsulfanylcyclopentyl]piperazine-1-carboxamide?
The IUPAC name of 4-ethyl-N-[(1R,3R)-3-ethylsulfanylcyclopentyl]piperazine-1-carboxamide (CID 95969263) is 4-ethyl-N-[(1R,3R)-3-ethylsulfanylcyclopentyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-ethyl-N-[(1R,3R)-3-ethylsulfanylcyclopentyl]piperazine-1-carboxamide?
The canonical SMILES for 4-ethyl-N-[(1R,3R)-3-ethylsulfanylcyclopentyl]piperazine-1-carboxamide is CCS[C@@H]1CC[C@@H](NC(=O)N2CCN(CC)CC2)C1.
What is the InChIKey of 4-ethyl-N-[(1R,3R)-3-ethylsulfanylcyclopentyl]piperazine-1-carboxamide?
The InChIKey is JLQFAJHOFJTMPR-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H27N3OS/c1-3-16-7-9-17(10-8-16)14(18)15-12-5-6-13(11-12)19-4-2/h12-13H,3-11H2,1-2H3,(H,15,18)/t12-,13-/m1/s1.
What are the key properties of 4-ethyl-N-[(1R,3R)-3-ethylsulfanylcyclopentyl]piperazine-1-carboxamide?
4-ethyl-N-[(1R,3R)-3-ethylsulfanylcyclopentyl]piperazine-1-carboxamide has a molecular weight of 285.46 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(1R,3R)-3-ethylsulfanylcyclopentyl]piperazine-1-carboxamide is sourced from PubChem (CID 95969263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).